USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 SER OG : rot 150:sc= 0.383 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -157:sc= 0.541 (180deg=-0.0866) USER MOD Set 2.1: A 97 CYS SG : rot -147:sc= -1.69 USER MOD Set 2.2: A 102 CYS SG : rot 177:sc= 0.861 USER MOD Set 2.3: A 104 LYS NZ :NH3+ -136:sc= 1.44 (180deg=0) USER MOD Set 2.4: A 115 HIS : no HE2:sc= -2.05 K(o=-3.9,f=-8) USER MOD Set 2.5: A 116 HIS : no HE2:sc= -1.7 X(o=-3.9,f=-3.7) USER MOD Set 2.6: A 119 HIS : no HE2:sc= -0.742 K(o=-3.9,f=-7.4!) USER MOD Set 3.1: A 68 GLN : amide:sc= 0.437 K(o=2.1,f=-1.8!) USER MOD Set 3.2: A 73 GLN : amide:sc= 1.7 K(o=2.1,f=-1.8) USER MOD Set 4.1: A 69 CYS SG : rot 135:sc= 2.24 USER MOD Set 4.2: A 71 THR OG1 : rot 84:sc= 0.926 USER MOD Set 4.3: A 72 CYS SG : rot -33:sc= -0.468 USER MOD Set 4.4: A 85 HIS : no HE2:sc= -0.415 K(o=2.1,f=0.19) USER MOD Set 4.5: A 89 HIS : no HD1:sc= -0.179 K(o=2.1,f=0.2) USER MOD Set 5.1: A 39 CYS SG : rot -130:sc= -0.541 USER MOD Set 5.2: A 57 HIS : no HD1:sc= -3.21 K(o=-2.3,f=2.5) USER MOD Set 5.3: A 58 GLN : amide:sc= 1.2 K(o=-2.3,f=-0.52) USER MOD Set 5.4: A 61 HIS : no HE2:sc= 0.209 K(o=-2.3,f=-0.44) USER MOD Set 6.1: A 49 SER OG : rot -56:sc= 1.3 USER MOD Set 6.2: A 53 GLN : amide:sc= -0.267! C(o=1!,f=-3.3!) USER MOD Set 7.1: A 9 CYS SG : rot 80:sc= 0.28! USER MOD Set 7.2: A 14 CYS SG : rot 128:sc= 1.31 USER MOD Set 7.3: A 16 LYS NZ :NH3+ -143:sc= 1.27 (180deg=-0.0287) USER MOD Set 7.4: A 18 TYR OH : rot 180:sc= -0.205 USER MOD Set 7.5: A 27 HIS : no HD1:sc= -2.4 K(o=-0.93,f=-2.4) USER MOD Set 7.6: A 31 HIS : no HE2:sc= -1.18 K(o=-0.93,f=-5!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.1 K(o=1.1,f=-2.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -2.8! C(o=-2.8!,f=-6.8!) USER MOD Single : A 25 GLN : amide:sc= 0.989 K(o=0.99,f=-5.3!) USER MOD Single : A 26 MET CE :methyl 150:sc= -0.0905 (180deg=-0.606) USER MOD Single : A 28 SER OG : rot -47:sc= 1.22 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00634) USER MOD Single : A 32 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 38 GLN : amide:sc= 1.38 K(o=1.4,f=-2.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -58:sc= 1.07 USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0.578 (180deg=0.556) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0.609 (180deg=0.561) USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= 0.444 (180deg=-0.229) USER MOD Single : A 77 SER OG : rot -170:sc= 0.00719 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.618 K(o=-0.62,f=0.041) USER MOD Single : A 83 LYS NZ :NH3+ -122:sc= -0.103 (180deg=-1.29) USER MOD Single : A 84 THR OG1 : rot 106:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 88 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 90 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0414) USER MOD Single : A 101 SER OG : rot -45:sc= 1.22 USER MOD Single : A 103 GLN : amide:sc= 1.54 K(o=1.5,f=-3!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.973 K(o=0.97,f=-0.053) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 3.460 22.003 -7.294 1.00 0.00 N ATOM 98 CA PHE A 7 3.464 20.991 -6.227 1.00 0.00 C ATOM 99 C PHE A 7 4.888 20.530 -5.925 1.00 0.00 C ATOM 100 O PHE A 7 5.731 20.537 -6.793 1.00 0.00 O ATOM 101 CB PHE A 7 2.618 19.779 -6.667 1.00 0.00 C ATOM 102 CG PHE A 7 1.181 20.065 -7.073 1.00 0.00 C ATOM 103 CD1 PHE A 7 0.189 20.275 -6.101 1.00 0.00 C ATOM 104 CD2 PHE A 7 0.828 20.118 -8.432 1.00 0.00 C ATOM 105 CE1 PHE A 7 -1.147 20.497 -6.477 1.00 0.00 C ATOM 106 CE2 PHE A 7 -0.503 20.374 -8.813 1.00 0.00 C ATOM 107 CZ PHE A 7 -1.490 20.562 -7.835 1.00 0.00 C ATOM 0 HA PHE A 7 3.041 21.434 -5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 7 3.121 19.299 -7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.604 19.058 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.455 20.266 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 7 1.582 19.961 -9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.909 20.617 -5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -0.764 20.426 -9.860 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.512 20.756 -8.127 1.00 0.00 H new ATOM 117 N MET A 8 5.176 20.229 -4.658 1.00 0.00 N ATOM 118 CA MET A 8 6.443 19.560 -4.302 1.00 0.00 C ATOM 119 C MET A 8 6.214 18.452 -3.292 1.00 0.00 C ATOM 120 O MET A 8 5.325 18.542 -2.439 1.00 0.00 O ATOM 121 CB MET A 8 7.466 20.569 -3.752 1.00 0.00 C ATOM 122 CG MET A 8 7.078 21.199 -2.408 1.00 0.00 C ATOM 123 SD MET A 8 8.313 22.354 -1.758 1.00 0.00 S ATOM 124 CE MET A 8 7.557 22.708 -0.151 1.00 0.00 C ATOM 0 H MET A 8 4.564 20.431 -3.867 1.00 0.00 H new ATOM 0 HA MET A 8 6.844 19.119 -5.214 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.428 20.068 -3.640 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.604 21.364 -4.485 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.129 21.723 -2.524 1.00 0.00 H new ATOM 0 HG3 MET A 8 6.917 20.405 -1.678 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.183 23.410 0.399 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.569 23.144 -0.302 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.463 21.783 0.418 1.00 0.00 H new ATOM 134 N CYS A 9 7.079 17.447 -3.342 1.00 0.00 N ATOM 135 CA CYS A 9 7.136 16.422 -2.314 1.00 0.00 C ATOM 136 C CYS A 9 7.690 17.024 -0.993 1.00 0.00 C ATOM 137 O CYS A 9 8.154 18.170 -0.964 1.00 0.00 O ATOM 138 CB CYS A 9 8.035 15.265 -2.793 1.00 0.00 C ATOM 139 SG CYS A 9 8.229 13.929 -1.589 1.00 0.00 S ATOM 0 H CYS A 9 7.757 17.322 -4.094 1.00 0.00 H new ATOM 0 HA CYS A 9 6.132 16.040 -2.127 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.619 14.853 -3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.019 15.663 -3.039 1.00 0.00 H new ATOM 0 HG CYS A 9 7.184 13.156 -1.626 1.00 0.00 H new ATOM 144 N ALA A 10 7.653 16.239 0.078 1.00 0.00 N ATOM 145 CA ALA A 10 8.169 16.665 1.376 1.00 0.00 C ATOM 146 C ALA A 10 8.846 15.488 2.130 1.00 0.00 C ATOM 147 O ALA A 10 9.273 15.645 3.275 1.00 0.00 O ATOM 148 CB ALA A 10 7.023 17.245 2.217 1.00 0.00 C ATOM 0 H ALA A 10 7.267 15.295 0.073 1.00 0.00 H new ATOM 0 HA ALA A 10 8.926 17.431 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.408 17.563 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.589 18.101 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.257 16.483 2.363 1.00 0.00 H new ATOM 154 N TYR A 11 8.986 14.327 1.458 1.00 0.00 N ATOM 155 CA TYR A 11 9.735 13.200 2.022 1.00 0.00 C ATOM 156 C TYR A 11 11.241 13.564 2.119 1.00 0.00 C ATOM 157 O TYR A 11 11.792 14.190 1.212 1.00 0.00 O ATOM 158 CB TYR A 11 9.547 11.947 1.145 1.00 0.00 C ATOM 159 CG TYR A 11 9.873 10.639 1.856 1.00 0.00 C ATOM 160 CD1 TYR A 11 8.977 10.104 2.809 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.094 9.981 1.608 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.330 8.967 3.568 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.458 8.862 2.382 1.00 0.00 C ATOM 164 CZ TYR A 11 10.595 8.365 3.384 1.00 0.00 C ATOM 165 OH TYR A 11 11.026 7.351 4.191 1.00 0.00 O ATOM 0 H TYR A 11 8.592 14.152 0.534 1.00 0.00 H new ATOM 0 HA TYR A 11 9.357 12.987 3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.515 11.912 0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.179 12.036 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.014 10.569 2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.750 10.334 0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 11 8.635 8.559 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.408 8.378 2.207 1.00 0.00 H new ATOM 0 HH TYR A 11 11.920 7.066 3.909 1.00 0.00 H new ATOM 175 N PRO A 12 11.907 13.211 3.250 1.00 0.00 N ATOM 176 CA PRO A 12 13.274 13.686 3.554 1.00 0.00 C ATOM 177 C PRO A 12 14.353 13.128 2.591 1.00 0.00 C ATOM 178 O PRO A 12 15.529 13.465 2.717 1.00 0.00 O ATOM 179 CB PRO A 12 13.520 13.195 4.990 1.00 0.00 C ATOM 180 CG PRO A 12 12.543 12.039 5.193 1.00 0.00 C ATOM 181 CD PRO A 12 11.338 12.471 4.368 1.00 0.00 C ATOM 0 HA PRO A 12 13.348 14.767 3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.551 12.867 5.122 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.344 13.991 5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.956 11.093 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.287 11.905 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.764 11.611 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.660 13.093 4.952 1.00 0.00 H new ATOM 189 N GLY A 13 13.933 12.312 1.613 1.00 0.00 N ATOM 190 CA GLY A 13 14.855 11.797 0.588 1.00 0.00 C ATOM 191 C GLY A 13 14.526 12.328 -0.824 1.00 0.00 C ATOM 192 O GLY A 13 15.124 11.888 -1.805 1.00 0.00 O ATOM 0 H GLY A 13 12.969 11.996 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.876 12.076 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.814 10.708 0.582 1.00 0.00 H new ATOM 196 N CYS A 14 13.522 13.223 -0.916 1.00 0.00 N ATOM 197 CA CYS A 14 13.002 13.675 -2.211 1.00 0.00 C ATOM 198 C CYS A 14 12.807 15.216 -2.231 1.00 0.00 C ATOM 199 O CYS A 14 13.698 15.953 -2.658 1.00 0.00 O ATOM 200 CB CYS A 14 11.672 12.966 -2.495 1.00 0.00 C ATOM 201 SG CYS A 14 10.936 13.572 -4.036 1.00 0.00 S ATOM 0 H CYS A 14 13.060 13.643 -0.109 1.00 0.00 H new ATOM 0 HA CYS A 14 13.725 13.424 -2.987 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.835 11.890 -2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.982 13.132 -1.667 1.00 0.00 H new ATOM 0 HG CYS A 14 10.648 12.564 -4.805 1.00 0.00 H new ATOM 206 N ASN A 15 11.608 15.676 -1.819 1.00 0.00 N ATOM 207 CA ASN A 15 11.230 17.104 -1.910 1.00 0.00 C ATOM 208 C ASN A 15 11.378 17.634 -3.372 1.00 0.00 C ATOM 209 O ASN A 15 11.758 18.787 -3.592 1.00 0.00 O ATOM 210 CB ASN A 15 12.096 17.947 -0.934 1.00 0.00 C ATOM 211 CG ASN A 15 11.674 19.413 -0.784 1.00 0.00 C ATOM 212 OD1 ASN A 15 12.498 20.317 -0.731 1.00 0.00 O ATOM 213 ND2 ASN A 15 10.396 19.725 -0.698 1.00 0.00 N ATOM 0 H ASN A 15 10.883 15.080 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 15 10.182 17.200 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.070 17.476 0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.131 17.917 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.115 20.700 -0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.688 18.992 -0.739 1.00 0.00 H new ATOM 220 N LYS A 16 11.016 16.795 -4.353 1.00 0.00 N ATOM 221 CA LYS A 16 11.056 17.191 -5.769 1.00 0.00 C ATOM 222 C LYS A 16 9.776 17.898 -6.170 1.00 0.00 C ATOM 223 O LYS A 16 8.756 17.775 -5.503 1.00 0.00 O ATOM 224 CB LYS A 16 11.264 15.948 -6.656 1.00 0.00 C ATOM 225 CG LYS A 16 12.714 15.442 -6.556 1.00 0.00 C ATOM 226 CD LYS A 16 13.012 14.277 -7.513 1.00 0.00 C ATOM 227 CE LYS A 16 12.405 12.936 -7.081 1.00 0.00 C ATOM 228 NZ LYS A 16 13.071 12.396 -5.880 1.00 0.00 N ATOM 0 H LYS A 16 10.693 15.841 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 16 11.889 17.880 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.577 15.159 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.030 16.192 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.396 16.265 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.912 15.124 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.636 14.531 -8.504 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.092 14.162 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.342 13.066 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.490 12.219 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.140 11.361 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.025 12.801 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.518 12.644 -5.035 1.00 0.00 H new ATOM 242 N ARG A 17 9.847 18.676 -7.256 1.00 0.00 N ATOM 243 CA ARG A 17 8.734 19.531 -7.661 1.00 0.00 C ATOM 244 C ARG A 17 7.929 18.895 -8.808 1.00 0.00 C ATOM 245 O ARG A 17 8.479 18.537 -9.848 1.00 0.00 O ATOM 246 CB ARG A 17 9.264 20.909 -8.102 1.00 0.00 C ATOM 247 CG ARG A 17 9.447 21.920 -6.956 1.00 0.00 C ATOM 248 CD ARG A 17 10.441 21.517 -5.856 1.00 0.00 C ATOM 249 NE ARG A 17 10.646 22.630 -4.911 1.00 0.00 N ATOM 250 CZ ARG A 17 11.286 22.600 -3.745 1.00 0.00 C ATOM 251 NH1 ARG A 17 11.826 21.513 -3.247 1.00 0.00 N ATOM 252 NH2 ARG A 17 11.398 23.699 -3.038 1.00 0.00 N ATOM 0 H ARG A 17 10.663 18.729 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 17 8.072 19.650 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.221 20.772 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.577 21.331 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.773 22.868 -7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.475 22.095 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.067 20.643 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.393 21.233 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 17 10.250 23.530 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.766 20.633 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.305 21.548 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.996 24.570 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.888 23.682 -2.143 1.00 0.00 H new ATOM 266 N TYR A 18 6.620 18.804 -8.600 1.00 0.00 N ATOM 267 CA TYR A 18 5.677 18.272 -9.563 1.00 0.00 C ATOM 268 C TYR A 18 4.753 19.391 -10.093 1.00 0.00 C ATOM 269 O TYR A 18 4.727 20.504 -9.552 1.00 0.00 O ATOM 270 CB TYR A 18 4.832 17.193 -8.885 1.00 0.00 C ATOM 271 CG TYR A 18 5.643 15.986 -8.486 1.00 0.00 C ATOM 272 CD1 TYR A 18 6.411 16.011 -7.306 1.00 0.00 C ATOM 273 CD2 TYR A 18 5.720 14.884 -9.351 1.00 0.00 C ATOM 274 CE1 TYR A 18 7.315 14.974 -7.037 1.00 0.00 C ATOM 275 CE2 TYR A 18 6.682 13.888 -9.125 1.00 0.00 C ATOM 276 CZ TYR A 18 7.525 13.964 -7.996 1.00 0.00 C ATOM 277 OH TYR A 18 8.545 13.082 -7.829 1.00 0.00 O ATOM 0 H TYR A 18 6.179 19.108 -7.732 1.00 0.00 H new ATOM 0 HA TYR A 18 6.226 17.848 -10.404 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.354 17.614 -8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.035 16.883 -9.561 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.304 16.829 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.042 14.803 -10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.848 14.950 -6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.777 13.063 -9.815 1.00 0.00 H new ATOM 0 HH TYR A 18 8.555 12.448 -8.576 1.00 0.00 H new ATOM 287 N PHE A 19 3.979 19.072 -11.137 1.00 0.00 N ATOM 288 CA PHE A 19 3.108 20.058 -11.792 1.00 0.00 C ATOM 289 C PHE A 19 1.636 19.589 -11.811 1.00 0.00 C ATOM 290 O PHE A 19 0.725 20.408 -11.872 1.00 0.00 O ATOM 291 CB PHE A 19 3.590 20.293 -13.225 1.00 0.00 C ATOM 292 CG PHE A 19 5.030 20.772 -13.291 1.00 0.00 C ATOM 293 CD1 PHE A 19 5.331 22.130 -13.070 1.00 0.00 C ATOM 294 CD2 PHE A 19 6.076 19.853 -13.507 1.00 0.00 C ATOM 295 CE1 PHE A 19 6.669 22.567 -13.072 1.00 0.00 C ATOM 296 CE2 PHE A 19 7.412 20.288 -13.502 1.00 0.00 C ATOM 297 CZ PHE A 19 7.709 21.646 -13.288 1.00 0.00 C ATOM 0 H PHE A 19 3.937 18.139 -11.547 1.00 0.00 H new ATOM 0 HA PHE A 19 3.159 20.986 -11.223 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.494 19.367 -13.792 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.945 21.029 -13.704 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.533 22.838 -12.899 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.850 18.811 -13.677 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.897 23.610 -12.908 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.211 19.579 -13.663 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.736 21.981 -13.290 1.00 0.00 H new ATOM 307 N LYS A 20 1.419 18.264 -11.754 1.00 0.00 N ATOM 308 CA LYS A 20 0.060 17.688 -11.724 1.00 0.00 C ATOM 309 C LYS A 20 -0.243 17.106 -10.343 1.00 0.00 C ATOM 310 O LYS A 20 0.515 16.295 -9.830 1.00 0.00 O ATOM 311 CB LYS A 20 -0.062 16.579 -12.800 1.00 0.00 C ATOM 312 CG LYS A 20 -0.817 17.029 -14.062 1.00 0.00 C ATOM 313 CD LYS A 20 -0.291 18.326 -14.701 1.00 0.00 C ATOM 314 CE LYS A 20 -1.206 18.770 -15.842 1.00 0.00 C ATOM 315 NZ LYS A 20 -0.965 20.187 -16.179 1.00 0.00 N ATOM 0 H LYS A 20 2.166 17.570 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.660 18.478 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.937 16.247 -13.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.573 15.719 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.768 16.230 -14.802 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.869 17.165 -13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.232 19.112 -13.948 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.720 18.169 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.031 18.147 -16.719 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.248 18.631 -15.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.595 20.471 -16.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.154 20.779 -15.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.025 20.310 -16.474 1.00 0.00 H new ATOM 329 N LEU A 21 -1.385 17.489 -9.769 1.00 0.00 N ATOM 330 CA LEU A 21 -1.797 16.980 -8.454 1.00 0.00 C ATOM 331 C LEU A 21 -1.768 15.436 -8.436 1.00 0.00 C ATOM 332 O LEU A 21 -1.200 14.829 -7.535 1.00 0.00 O ATOM 333 CB LEU A 21 -3.219 17.479 -8.121 1.00 0.00 C ATOM 334 CG LEU A 21 -3.768 16.989 -6.763 1.00 0.00 C ATOM 335 CD1 LEU A 21 -2.996 17.562 -5.572 1.00 0.00 C ATOM 336 CD2 LEU A 21 -5.236 17.396 -6.630 1.00 0.00 C ATOM 0 H LEU A 21 -2.041 18.147 -10.190 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.098 17.351 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.218 18.569 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.898 17.157 -8.911 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.655 15.905 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.425 17.184 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.950 17.261 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.062 18.650 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.624 17.050 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.319 18.481 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.813 16.947 -7.438 1.00 0.00 H new ATOM 348 N SER A 22 -2.403 14.822 -9.441 1.00 0.00 N ATOM 349 CA SER A 22 -2.500 13.355 -9.535 1.00 0.00 C ATOM 350 C SER A 22 -1.141 12.698 -9.816 1.00 0.00 C ATOM 351 O SER A 22 -0.854 11.621 -9.304 1.00 0.00 O ATOM 352 CB SER A 22 -3.482 12.975 -10.643 1.00 0.00 C ATOM 353 OG SER A 22 -3.099 13.535 -11.887 1.00 0.00 O ATOM 0 H SER A 22 -2.860 15.318 -10.206 1.00 0.00 H new ATOM 0 HA SER A 22 -2.853 12.990 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.532 11.890 -10.731 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.482 13.320 -10.379 1.00 0.00 H new ATOM 0 HG SER A 22 -3.745 13.273 -12.576 1.00 0.00 H new ATOM 359 N HIS A 23 -0.316 13.340 -10.648 1.00 0.00 N ATOM 360 CA HIS A 23 1.001 12.791 -10.996 1.00 0.00 C ATOM 361 C HIS A 23 1.962 12.907 -9.792 1.00 0.00 C ATOM 362 O HIS A 23 2.774 12.010 -9.541 1.00 0.00 O ATOM 363 CB HIS A 23 1.569 13.517 -12.252 1.00 0.00 C ATOM 364 CG HIS A 23 2.761 14.455 -12.298 1.00 0.00 C ATOM 365 ND1 HIS A 23 3.634 14.525 -13.365 1.00 0.00 N ATOM 366 CD2 HIS A 23 3.018 15.547 -11.521 1.00 0.00 C ATOM 367 CE1 HIS A 23 4.382 15.632 -13.229 1.00 0.00 C ATOM 368 NE2 HIS A 23 4.027 16.302 -12.124 1.00 0.00 N ATOM 0 H HIS A 23 -0.533 14.233 -11.091 1.00 0.00 H new ATOM 0 HA HIS A 23 0.897 11.733 -11.239 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.794 12.726 -12.967 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.735 14.088 -12.660 1.00 0.00 H new ATOM 0 HD1 HIS A 23 3.700 13.850 -14.127 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.523 15.788 -10.592 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.159 15.939 -13.913 1.00 0.00 H new ATOM 376 N LEU A 24 1.734 13.933 -8.964 1.00 0.00 N ATOM 377 CA LEU A 24 2.404 14.039 -7.679 1.00 0.00 C ATOM 378 C LEU A 24 1.827 13.015 -6.670 1.00 0.00 C ATOM 379 O LEU A 24 2.569 12.368 -5.944 1.00 0.00 O ATOM 380 CB LEU A 24 2.278 15.461 -7.130 1.00 0.00 C ATOM 381 CG LEU A 24 2.989 15.796 -5.792 1.00 0.00 C ATOM 382 CD1 LEU A 24 1.986 15.881 -4.635 1.00 0.00 C ATOM 383 CD2 LEU A 24 4.142 14.875 -5.363 1.00 0.00 C ATOM 0 H LEU A 24 1.090 14.697 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 24 3.460 13.813 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.657 16.146 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.217 15.677 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 24 3.448 16.760 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.515 16.117 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.255 16.662 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.475 14.925 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.550 15.221 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.771 13.856 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.924 14.894 -6.122 1.00 0.00 H new ATOM 395 N GLN A 25 0.498 12.845 -6.672 1.00 0.00 N ATOM 396 CA GLN A 25 -0.154 11.844 -5.819 1.00 0.00 C ATOM 397 C GLN A 25 0.394 10.439 -6.129 1.00 0.00 C ATOM 398 O GLN A 25 0.760 9.696 -5.218 1.00 0.00 O ATOM 399 CB GLN A 25 -1.682 11.877 -6.035 1.00 0.00 C ATOM 400 CG GLN A 25 -2.484 10.762 -5.336 1.00 0.00 C ATOM 401 CD GLN A 25 -2.124 10.509 -3.871 1.00 0.00 C ATOM 402 OE1 GLN A 25 -1.993 9.372 -3.445 1.00 0.00 O ATOM 403 NE2 GLN A 25 -1.968 11.530 -3.050 1.00 0.00 N ATOM 0 H GLN A 25 -0.144 13.385 -7.252 1.00 0.00 H new ATOM 0 HA GLN A 25 0.060 12.080 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.058 12.840 -5.689 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.880 11.824 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.544 11.010 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.343 9.835 -5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.075 12.484 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.740 11.366 -2.069 1.00 0.00 H new ATOM 412 N MET A 26 0.547 10.133 -7.427 1.00 0.00 N ATOM 413 CA MET A 26 1.189 8.892 -7.864 1.00 0.00 C ATOM 414 C MET A 26 2.628 8.805 -7.327 1.00 0.00 C ATOM 415 O MET A 26 3.001 7.808 -6.706 1.00 0.00 O ATOM 416 CB MET A 26 1.196 8.812 -9.398 1.00 0.00 C ATOM 417 CG MET A 26 -0.114 8.204 -9.918 1.00 0.00 C ATOM 418 SD MET A 26 -0.291 6.416 -9.614 1.00 0.00 S ATOM 419 CE MET A 26 -1.491 6.355 -8.251 1.00 0.00 C ATOM 0 H MET A 26 0.233 10.732 -8.190 1.00 0.00 H new ATOM 0 HA MET A 26 0.619 8.053 -7.465 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.332 9.809 -9.818 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.040 8.208 -9.731 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.951 8.723 -9.452 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.184 8.386 -10.990 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.071 5.434 -8.318 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.962 6.382 -7.299 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.161 7.212 -8.318 1.00 0.00 H new ATOM 429 N HIS A 27 3.392 9.906 -7.453 1.00 0.00 N ATOM 430 CA HIS A 27 4.767 9.942 -6.942 1.00 0.00 C ATOM 431 C HIS A 27 4.787 9.639 -5.435 1.00 0.00 C ATOM 432 O HIS A 27 5.573 8.805 -4.971 1.00 0.00 O ATOM 433 CB HIS A 27 5.397 11.331 -7.197 1.00 0.00 C ATOM 434 CG HIS A 27 6.585 11.509 -6.297 1.00 0.00 C ATOM 435 ND1 HIS A 27 7.697 10.690 -6.244 1.00 0.00 N ATOM 436 CD2 HIS A 27 6.655 12.383 -5.249 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.432 11.080 -5.190 1.00 0.00 C ATOM 438 NE2 HIS A 27 7.845 12.125 -4.597 1.00 0.00 N ATOM 0 H HIS A 27 3.082 10.770 -7.899 1.00 0.00 H new ATOM 0 HA HIS A 27 5.347 9.183 -7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.700 11.420 -8.240 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.664 12.116 -7.010 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.922 13.130 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.355 10.620 -4.870 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.213 12.643 -3.799 1.00 0.00 H new ATOM 446 N SER A 28 3.838 10.230 -4.700 1.00 0.00 N ATOM 447 CA SER A 28 3.792 10.094 -3.251 1.00 0.00 C ATOM 448 C SER A 28 3.669 8.631 -2.837 1.00 0.00 C ATOM 449 O SER A 28 4.171 8.245 -1.786 1.00 0.00 O ATOM 450 CB SER A 28 2.608 10.897 -2.683 1.00 0.00 C ATOM 451 OG SER A 28 1.353 10.258 -2.824 1.00 0.00 O ATOM 0 H SER A 28 3.093 10.807 -5.091 1.00 0.00 H new ATOM 0 HA SER A 28 4.725 10.486 -2.847 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.788 11.090 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.568 11.866 -3.181 1.00 0.00 H new ATOM 0 HG SER A 28 1.255 9.928 -3.742 1.00 0.00 H new ATOM 457 N ARG A 29 3.001 7.805 -3.673 1.00 0.00 N ATOM 458 CA ARG A 29 2.785 6.389 -3.339 1.00 0.00 C ATOM 459 C ARG A 29 4.122 5.689 -3.053 1.00 0.00 C ATOM 460 O ARG A 29 4.226 4.918 -2.093 1.00 0.00 O ATOM 461 CB ARG A 29 2.062 5.667 -4.493 1.00 0.00 C ATOM 462 CG ARG A 29 0.713 6.242 -4.958 1.00 0.00 C ATOM 463 CD ARG A 29 -0.183 6.847 -3.879 1.00 0.00 C ATOM 464 NE ARG A 29 -0.417 5.926 -2.764 1.00 0.00 N ATOM 465 CZ ARG A 29 -1.306 6.111 -1.803 1.00 0.00 C ATOM 466 NH1 ARG A 29 -2.135 7.131 -1.783 1.00 0.00 N ATOM 467 NH2 ARG A 29 -1.380 5.234 -0.831 1.00 0.00 N ATOM 0 H ARG A 29 2.609 8.093 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 29 2.164 6.345 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.734 5.649 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.901 4.632 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.910 7.010 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.157 5.447 -5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.275 7.761 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.139 7.128 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 29 0.149 5.078 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.110 7.823 -2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.803 7.230 -1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.758 4.426 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.060 5.360 -0.081 1.00 0.00 H new ATOM 481 N LYS A 30 5.170 6.045 -3.828 1.00 0.00 N ATOM 482 CA LYS A 30 6.530 5.483 -3.623 1.00 0.00 C ATOM 483 C LYS A 30 7.024 5.731 -2.184 1.00 0.00 C ATOM 484 O LYS A 30 7.745 4.916 -1.622 1.00 0.00 O ATOM 485 CB LYS A 30 7.517 6.127 -4.628 1.00 0.00 C ATOM 486 CG LYS A 30 8.998 5.745 -4.441 1.00 0.00 C ATOM 487 CD LYS A 30 9.280 4.236 -4.547 1.00 0.00 C ATOM 488 CE LYS A 30 10.728 3.909 -4.162 1.00 0.00 C ATOM 489 NZ LYS A 30 11.701 4.469 -5.122 1.00 0.00 N ATOM 0 H LYS A 30 5.105 6.713 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 30 6.482 4.407 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.213 5.850 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.427 7.211 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.593 6.268 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.332 6.098 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.597 3.690 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.088 3.899 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.935 4.302 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.853 2.827 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.664 4.194 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.500 4.101 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.625 5.506 -5.128 1.00 0.00 H new ATOM 503 N HIS A 31 6.616 6.858 -1.606 1.00 0.00 N ATOM 504 CA HIS A 31 7.052 7.264 -0.269 1.00 0.00 C ATOM 505 C HIS A 31 6.115 6.714 0.831 1.00 0.00 C ATOM 506 O HIS A 31 6.492 6.672 2.000 1.00 0.00 O ATOM 507 CB HIS A 31 7.115 8.797 -0.181 1.00 0.00 C ATOM 508 CG HIS A 31 8.280 9.378 -0.947 1.00 0.00 C ATOM 509 ND1 HIS A 31 9.567 8.887 -0.941 1.00 0.00 N ATOM 510 CD2 HIS A 31 8.291 10.534 -1.683 1.00 0.00 C ATOM 511 CE1 HIS A 31 10.338 9.727 -1.643 1.00 0.00 C ATOM 512 NE2 HIS A 31 9.607 10.739 -2.115 1.00 0.00 N ATOM 0 H HIS A 31 5.975 7.516 -2.049 1.00 0.00 H new ATOM 0 HA HIS A 31 8.044 6.845 -0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.186 9.217 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.189 9.094 0.865 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.879 8.031 -0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.442 11.169 -1.891 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.399 9.603 -1.804 1.00 0.00 H new ATOM 520 N THR A 32 4.873 6.343 0.460 1.00 0.00 N ATOM 521 CA THR A 32 3.871 5.959 1.484 1.00 0.00 C ATOM 522 C THR A 32 4.304 4.684 2.227 1.00 0.00 C ATOM 523 O THR A 32 4.032 4.532 3.415 1.00 0.00 O ATOM 524 CB THR A 32 2.485 5.708 0.851 1.00 0.00 C ATOM 525 OG1 THR A 32 2.460 4.733 -0.182 1.00 0.00 O ATOM 526 CG2 THR A 32 1.833 6.990 0.349 1.00 0.00 C ATOM 0 H THR A 32 4.544 6.300 -0.504 1.00 0.00 H new ATOM 0 HA THR A 32 3.803 6.791 2.185 1.00 0.00 H new ATOM 0 HB THR A 32 1.906 5.301 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.997 5.046 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.861 6.758 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.702 7.681 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.469 7.450 -0.407 1.00 0.00 H new ATOM 592 N TYR A 37 7.030 -1.063 9.841 1.00 0.00 N ATOM 593 CA TYR A 37 6.737 -1.437 11.243 1.00 0.00 C ATOM 594 C TYR A 37 7.387 -2.795 11.586 1.00 0.00 C ATOM 595 O TYR A 37 7.815 -3.525 10.692 1.00 0.00 O ATOM 596 CB TYR A 37 5.208 -1.539 11.455 1.00 0.00 C ATOM 597 CG TYR A 37 4.337 -0.434 10.889 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.179 -0.323 9.495 1.00 0.00 C ATOM 599 CD2 TYR A 37 3.665 0.461 11.747 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.460 0.750 8.955 1.00 0.00 C ATOM 601 CE2 TYR A 37 2.853 1.475 11.204 1.00 0.00 C ATOM 602 CZ TYR A 37 2.769 1.626 9.804 1.00 0.00 C ATOM 603 OH TYR A 37 1.965 2.559 9.248 1.00 0.00 O ATOM 0 HA TYR A 37 7.148 -0.667 11.896 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.873 -2.482 11.024 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.022 -1.595 12.528 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.613 -1.066 8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.773 0.369 12.818 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.438 0.903 7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.298 2.133 11.856 1.00 0.00 H new ATOM 0 HH TYR A 37 1.549 3.095 9.955 1.00 0.00 H new ATOM 613 N GLN A 38 7.381 -3.158 12.880 1.00 0.00 N ATOM 614 CA GLN A 38 7.771 -4.515 13.308 1.00 0.00 C ATOM 615 C GLN A 38 6.749 -5.081 14.301 1.00 0.00 C ATOM 616 O GLN A 38 6.069 -4.330 15.003 1.00 0.00 O ATOM 617 CB GLN A 38 9.169 -4.495 13.950 1.00 0.00 C ATOM 618 CG GLN A 38 9.312 -4.007 15.404 1.00 0.00 C ATOM 619 CD GLN A 38 10.536 -4.667 16.026 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.649 -4.177 15.900 1.00 0.00 O ATOM 621 NE2 GLN A 38 10.363 -5.818 16.655 1.00 0.00 N ATOM 0 H GLN A 38 7.113 -2.537 13.643 1.00 0.00 H new ATOM 0 HA GLN A 38 7.796 -5.156 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.569 -5.508 13.901 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.809 -3.869 13.328 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.415 -2.922 15.429 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.418 -4.256 15.975 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.427 -6.211 16.750 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.166 -6.312 17.045 1.00 0.00 H new ATOM 630 N CYS A 39 6.719 -6.405 14.408 1.00 0.00 N ATOM 631 CA CYS A 39 5.957 -7.073 15.462 1.00 0.00 C ATOM 632 C CYS A 39 6.649 -6.877 16.830 1.00 0.00 C ATOM 633 O CYS A 39 7.870 -7.035 16.953 1.00 0.00 O ATOM 634 CB CYS A 39 5.823 -8.555 15.153 1.00 0.00 C ATOM 635 SG CYS A 39 4.067 -8.970 15.232 1.00 0.00 S ATOM 0 H CYS A 39 7.213 -7.038 13.779 1.00 0.00 H new ATOM 0 HA CYS A 39 4.962 -6.631 15.506 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.226 -8.778 14.165 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.390 -9.149 15.870 1.00 0.00 H new ATOM 0 HG CYS A 39 3.902 -10.018 15.984 1.00 0.00 H new ATOM 731 N ARG A 46 9.311 -10.065 13.119 1.00 0.00 N ATOM 732 CA ARG A 46 8.960 -9.914 11.704 1.00 0.00 C ATOM 733 C ARG A 46 8.545 -8.478 11.424 1.00 0.00 C ATOM 734 O ARG A 46 8.019 -7.788 12.303 1.00 0.00 O ATOM 735 CB ARG A 46 7.819 -10.876 11.331 1.00 0.00 C ATOM 736 CG ARG A 46 8.354 -12.322 11.311 1.00 0.00 C ATOM 737 CD ARG A 46 7.257 -13.374 11.126 1.00 0.00 C ATOM 738 NE ARG A 46 6.457 -13.487 12.349 1.00 0.00 N ATOM 739 CZ ARG A 46 6.029 -14.565 12.985 1.00 0.00 C ATOM 740 NH1 ARG A 46 6.205 -15.786 12.523 1.00 0.00 N ATOM 741 NH2 ARG A 46 5.379 -14.425 14.112 1.00 0.00 N ATOM 0 HA ARG A 46 9.832 -10.157 11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.005 -10.788 12.050 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.412 -10.614 10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.082 -12.421 10.506 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.882 -12.519 12.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.617 -13.100 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.704 -14.338 10.884 1.00 0.00 H new ATOM 0 HE ARG A 46 6.190 -12.599 12.774 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.690 -15.931 11.638 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.856 -16.586 13.051 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.208 -13.493 14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.043 -15.248 14.613 1.00 0.00 H new ATOM 755 N ARG A 47 8.861 -7.999 10.219 1.00 0.00 N ATOM 756 CA ARG A 47 8.636 -6.598 9.855 1.00 0.00 C ATOM 757 C ARG A 47 7.645 -6.495 8.694 1.00 0.00 C ATOM 758 O ARG A 47 7.526 -7.410 7.881 1.00 0.00 O ATOM 759 CB ARG A 47 9.977 -5.935 9.464 1.00 0.00 C ATOM 760 CG ARG A 47 10.811 -5.416 10.653 1.00 0.00 C ATOM 761 CD ARG A 47 11.413 -6.486 11.580 1.00 0.00 C ATOM 762 NE ARG A 47 12.125 -5.877 12.719 1.00 0.00 N ATOM 763 CZ ARG A 47 12.943 -6.497 13.566 1.00 0.00 C ATOM 764 NH1 ARG A 47 13.279 -7.760 13.461 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.431 -5.872 14.607 1.00 0.00 N ATOM 0 H ARG A 47 9.275 -8.563 9.476 1.00 0.00 H new ATOM 0 HA ARG A 47 8.215 -6.079 10.716 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.574 -6.656 8.906 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.772 -5.103 8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.625 -4.806 10.260 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.181 -4.759 11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.620 -7.135 11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.101 -7.114 11.014 1.00 0.00 H new ATOM 0 HE ARG A 47 11.975 -4.880 12.873 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.908 -8.325 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.911 -8.178 14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.185 -4.897 14.778 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.057 -6.360 15.248 1.00 0.00 H new ATOM 779 N PHE A 48 6.956 -5.358 8.622 1.00 0.00 N ATOM 780 CA PHE A 48 5.953 -5.102 7.587 1.00 0.00 C ATOM 781 C PHE A 48 6.095 -3.670 7.065 1.00 0.00 C ATOM 782 O PHE A 48 6.786 -2.856 7.666 1.00 0.00 O ATOM 783 CB PHE A 48 4.546 -5.312 8.169 1.00 0.00 C ATOM 784 CG PHE A 48 4.348 -6.737 8.660 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.990 -7.742 7.744 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.667 -7.088 9.989 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.991 -9.088 8.143 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.668 -8.436 10.394 1.00 0.00 C ATOM 789 CZ PHE A 48 4.375 -9.434 9.450 1.00 0.00 C ATOM 0 H PHE A 48 7.076 -4.587 9.279 1.00 0.00 H new ATOM 0 HA PHE A 48 6.106 -5.795 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.386 -4.617 8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.800 -5.082 7.409 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.714 -7.478 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.913 -6.315 10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.697 -9.858 7.445 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.891 -8.700 11.417 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.445 -10.475 9.730 1.00 0.00 H new ATOM 799 N SER A 49 5.478 -3.380 5.919 1.00 0.00 N ATOM 800 CA SER A 49 5.649 -2.068 5.265 1.00 0.00 C ATOM 801 C SER A 49 4.451 -1.141 5.532 1.00 0.00 C ATOM 802 O SER A 49 4.579 0.078 5.453 1.00 0.00 O ATOM 803 CB SER A 49 5.827 -2.255 3.752 1.00 0.00 C ATOM 804 OG SER A 49 4.654 -2.744 3.123 1.00 0.00 O ATOM 0 H SER A 49 4.861 -4.023 5.423 1.00 0.00 H new ATOM 0 HA SER A 49 6.539 -1.601 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.106 -1.302 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.649 -2.947 3.569 1.00 0.00 H new ATOM 0 HG SER A 49 4.383 -3.586 3.545 1.00 0.00 H new ATOM 810 N ARG A 50 3.297 -1.730 5.886 1.00 0.00 N ATOM 811 CA ARG A 50 2.094 -0.952 6.217 1.00 0.00 C ATOM 812 C ARG A 50 1.480 -1.437 7.528 1.00 0.00 C ATOM 813 O ARG A 50 1.567 -2.621 7.872 1.00 0.00 O ATOM 814 CB ARG A 50 1.062 -1.069 5.091 1.00 0.00 C ATOM 815 CG ARG A 50 1.497 -0.368 3.795 1.00 0.00 C ATOM 816 CD ARG A 50 0.307 -0.204 2.840 1.00 0.00 C ATOM 817 NE ARG A 50 -0.249 -1.506 2.429 1.00 0.00 N ATOM 818 CZ ARG A 50 0.090 -2.202 1.352 1.00 0.00 C ATOM 819 NH1 ARG A 50 1.015 -1.796 0.517 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.427 -3.387 1.151 1.00 0.00 N ATOM 0 H ARG A 50 3.173 -2.740 5.950 1.00 0.00 H new ATOM 0 HA ARG A 50 2.385 0.092 6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.880 -2.123 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.117 -0.642 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.919 0.609 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.282 -0.947 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.470 0.386 3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.624 0.351 1.957 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.965 -1.911 3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.503 -0.916 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.247 -2.360 -0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.090 -3.775 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.167 -3.923 0.323 1.00 0.00 H new ATOM 834 N SER A 51 0.827 -0.516 8.245 1.00 0.00 N ATOM 835 CA SER A 51 0.192 -0.837 9.520 1.00 0.00 C ATOM 836 C SER A 51 -0.843 -1.947 9.343 1.00 0.00 C ATOM 837 O SER A 51 -0.965 -2.819 10.184 1.00 0.00 O ATOM 838 CB SER A 51 -0.481 0.410 10.098 1.00 0.00 C ATOM 839 OG SER A 51 -1.077 0.093 11.340 1.00 0.00 O ATOM 0 H SER A 51 0.726 0.458 7.960 1.00 0.00 H new ATOM 0 HA SER A 51 0.961 -1.185 10.209 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.253 1.205 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.236 0.783 9.405 1.00 0.00 H new ATOM 0 HG SER A 51 -1.506 0.892 11.710 1.00 0.00 H new ATOM 845 N ASP A 52 -1.571 -1.920 8.217 1.00 0.00 N ATOM 846 CA ASP A 52 -2.604 -2.925 7.939 1.00 0.00 C ATOM 847 C ASP A 52 -1.982 -4.323 7.718 1.00 0.00 C ATOM 848 O ASP A 52 -2.555 -5.327 8.132 1.00 0.00 O ATOM 849 CB ASP A 52 -3.421 -2.514 6.711 1.00 0.00 C ATOM 850 CG ASP A 52 -2.796 -2.788 5.340 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.924 -1.990 4.928 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.198 -3.791 4.709 1.00 0.00 O ATOM 0 H ASP A 52 -1.463 -1.215 7.487 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.261 -2.981 8.807 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.381 -3.028 6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.627 -1.446 6.783 1.00 0.00 H new ATOM 857 N GLN A 53 -0.779 -4.369 7.122 1.00 0.00 N ATOM 858 CA GLN A 53 -0.040 -5.633 6.971 1.00 0.00 C ATOM 859 C GLN A 53 0.368 -6.180 8.345 1.00 0.00 C ATOM 860 O GLN A 53 0.136 -7.351 8.650 1.00 0.00 O ATOM 861 CB GLN A 53 1.214 -5.416 6.108 1.00 0.00 C ATOM 862 CG GLN A 53 0.937 -5.072 4.636 1.00 0.00 C ATOM 863 CD GLN A 53 2.179 -4.535 3.919 1.00 0.00 C ATOM 864 OE1 GLN A 53 3.270 -4.392 4.471 1.00 0.00 O ATOM 865 NE2 GLN A 53 2.058 -4.171 2.657 1.00 0.00 N ATOM 0 H GLN A 53 -0.301 -3.553 6.740 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.691 -6.356 6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.805 -4.613 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.824 -6.319 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.578 -5.962 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.141 -4.330 4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.164 -4.280 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.859 -3.781 2.160 1.00 0.00 H new ATOM 874 N LEU A 54 0.913 -5.299 9.199 1.00 0.00 N ATOM 875 CA LEU A 54 1.248 -5.661 10.582 1.00 0.00 C ATOM 876 C LEU A 54 -0.029 -6.063 11.372 1.00 0.00 C ATOM 877 O LEU A 54 -0.008 -7.012 12.152 1.00 0.00 O ATOM 878 CB LEU A 54 1.947 -4.468 11.275 1.00 0.00 C ATOM 879 CG LEU A 54 2.282 -4.645 12.769 1.00 0.00 C ATOM 880 CD1 LEU A 54 3.200 -5.836 13.049 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.012 -3.402 13.285 1.00 0.00 C ATOM 0 H LEU A 54 1.130 -4.333 8.955 1.00 0.00 H new ATOM 0 HA LEU A 54 1.922 -6.517 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.873 -4.256 10.740 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.310 -3.590 11.169 1.00 0.00 H new ATOM 0 HG LEU A 54 1.327 -4.809 13.268 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.395 -5.901 14.119 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.719 -6.754 12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.142 -5.703 12.516 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.247 -3.531 14.342 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.935 -3.262 12.722 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.374 -2.527 13.159 1.00 0.00 H new ATOM 893 N LYS A 55 -1.133 -5.325 11.149 1.00 0.00 N ATOM 894 CA LYS A 55 -2.419 -5.590 11.829 1.00 0.00 C ATOM 895 C LYS A 55 -2.994 -6.945 11.407 1.00 0.00 C ATOM 896 O LYS A 55 -3.438 -7.724 12.247 1.00 0.00 O ATOM 897 CB LYS A 55 -3.423 -4.470 11.502 1.00 0.00 C ATOM 898 CG LYS A 55 -4.737 -4.586 12.294 1.00 0.00 C ATOM 899 CD LYS A 55 -5.561 -3.287 12.260 1.00 0.00 C ATOM 900 CE LYS A 55 -6.022 -2.861 10.858 1.00 0.00 C ATOM 901 NZ LYS A 55 -7.018 -3.795 10.297 1.00 0.00 N ATOM 0 H LYS A 55 -1.162 -4.538 10.501 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.240 -5.615 12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.963 -3.505 11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.646 -4.490 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.333 -5.402 11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.512 -4.843 13.329 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.438 -3.412 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.966 -2.483 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.450 -1.860 10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.160 -2.808 10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.303 -3.471 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.602 -4.746 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.852 -3.827 10.917 1.00 0.00 H new ATOM 915 N ARG A 56 -2.919 -7.252 10.103 1.00 0.00 N ATOM 916 CA ARG A 56 -3.249 -8.595 9.606 1.00 0.00 C ATOM 917 C ARG A 56 -2.376 -9.642 10.307 1.00 0.00 C ATOM 918 O ARG A 56 -2.883 -10.616 10.859 1.00 0.00 O ATOM 919 CB ARG A 56 -3.013 -8.666 8.082 1.00 0.00 C ATOM 920 CG ARG A 56 -4.110 -8.071 7.177 1.00 0.00 C ATOM 921 CD ARG A 56 -3.618 -7.741 5.746 1.00 0.00 C ATOM 922 NE ARG A 56 -2.557 -8.654 5.270 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.234 -9.009 4.029 1.00 0.00 C ATOM 924 NH1 ARG A 56 -2.924 -8.680 2.959 1.00 0.00 N ATOM 925 NH2 ARG A 56 -1.157 -9.735 3.853 1.00 0.00 N ATOM 0 H ARG A 56 -2.635 -6.593 9.378 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.298 -8.800 9.818 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.076 -8.155 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.878 -9.712 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.940 -8.775 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.497 -7.162 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.463 -7.787 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.244 -6.717 5.724 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.987 -9.075 6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.769 -8.116 3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.615 -8.989 2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.592 -10.012 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.884 -10.023 2.913 1.00 0.00 H new ATOM 939 N HIS A 57 -1.069 -9.370 10.367 1.00 0.00 N ATOM 940 CA HIS A 57 -0.110 -10.280 10.985 1.00 0.00 C ATOM 941 C HIS A 57 -0.429 -10.506 12.493 1.00 0.00 C ATOM 942 O HIS A 57 -0.325 -11.625 12.989 1.00 0.00 O ATOM 943 CB HIS A 57 1.307 -9.726 10.821 1.00 0.00 C ATOM 944 CG HIS A 57 2.311 -10.673 11.397 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.620 -11.937 10.951 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.979 -10.465 12.560 1.00 0.00 C ATOM 947 CE1 HIS A 57 3.434 -12.493 11.861 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.665 -11.638 12.864 1.00 0.00 N ATOM 0 H HIS A 57 -0.652 -8.519 9.991 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.184 -11.245 10.483 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.519 -9.561 9.765 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.385 -8.758 11.317 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.979 -9.556 13.143 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.845 -13.490 11.794 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.234 -11.812 13.692 1.00 0.00 H new ATOM 956 N GLN A 58 -0.894 -9.451 13.183 1.00 0.00 N ATOM 957 CA GLN A 58 -1.296 -9.562 14.603 1.00 0.00 C ATOM 958 C GLN A 58 -2.311 -10.700 14.796 1.00 0.00 C ATOM 959 O GLN A 58 -2.283 -11.398 15.809 1.00 0.00 O ATOM 960 CB GLN A 58 -1.901 -8.235 15.112 1.00 0.00 C ATOM 961 CG GLN A 58 -0.946 -7.040 15.276 1.00 0.00 C ATOM 962 CD GLN A 58 0.435 -7.456 15.766 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.674 -7.565 16.958 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.342 -7.714 14.845 1.00 0.00 N ATOM 0 H GLN A 58 -1.002 -8.517 12.788 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.400 -9.784 15.182 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.694 -7.941 14.425 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.370 -8.427 16.077 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.848 -6.524 14.321 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.378 -6.328 15.980 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.109 -7.613 13.857 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.277 -8.015 15.120 1.00 0.00 H new ATOM 973 N ARG A 59 -3.231 -10.866 13.829 1.00 0.00 N ATOM 974 CA ARG A 59 -4.265 -11.916 13.912 1.00 0.00 C ATOM 975 C ARG A 59 -3.631 -13.304 14.108 1.00 0.00 C ATOM 976 O ARG A 59 -4.198 -14.155 14.774 1.00 0.00 O ATOM 977 CB ARG A 59 -5.128 -11.918 12.635 1.00 0.00 C ATOM 978 CG ARG A 59 -5.833 -10.587 12.298 1.00 0.00 C ATOM 979 CD ARG A 59 -6.964 -10.206 13.267 1.00 0.00 C ATOM 980 NE ARG A 59 -6.476 -9.852 14.610 1.00 0.00 N ATOM 981 CZ ARG A 59 -5.952 -8.700 15.011 1.00 0.00 C ATOM 982 NH1 ARG A 59 -5.907 -7.636 14.243 1.00 0.00 N ATOM 983 NH2 ARG A 59 -5.439 -8.614 16.215 1.00 0.00 N ATOM 0 H ARG A 59 -3.281 -10.292 12.987 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.894 -11.697 14.775 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.495 -12.196 11.792 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.887 -12.694 12.733 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.091 -9.788 12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.241 -10.651 11.289 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.520 -9.364 12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.662 -11.039 13.348 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.549 -10.581 15.319 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.284 -7.674 13.296 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.495 -6.771 14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.446 -9.427 16.831 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.033 -7.734 16.535 1.00 0.00 H new ATOM 997 N ARG A 60 -2.445 -13.519 13.531 1.00 0.00 N ATOM 998 CA ARG A 60 -1.745 -14.810 13.658 1.00 0.00 C ATOM 999 C ARG A 60 -1.331 -15.060 15.123 1.00 0.00 C ATOM 1000 O ARG A 60 -1.283 -16.200 15.572 1.00 0.00 O ATOM 1001 CB ARG A 60 -0.496 -14.845 12.743 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.560 -14.281 11.310 1.00 0.00 C ATOM 1003 CD ARG A 60 -1.934 -14.133 10.638 1.00 0.00 C ATOM 1004 NE ARG A 60 -1.873 -13.236 9.485 1.00 0.00 N ATOM 1005 CZ ARG A 60 -2.674 -13.222 8.438 1.00 0.00 C ATOM 1006 NH1 ARG A 60 -3.788 -13.900 8.349 1.00 0.00 N ATOM 1007 NH2 ARG A 60 -2.404 -12.395 7.454 1.00 0.00 N ATOM 0 H ARG A 60 -1.948 -12.824 12.974 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.430 -15.599 13.347 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.299 -14.311 13.264 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.183 -15.886 12.665 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.089 -13.298 11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.052 -14.921 10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.292 -15.112 10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.654 -13.750 11.361 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.126 -12.542 9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.089 -14.491 9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.357 -13.838 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.590 -11.783 7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.008 -12.365 6.633 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.038 -13.971 15.855 1.00 0.00 N ATOM 1022 CA HIS A 61 -0.616 -14.056 17.264 1.00 0.00 C ATOM 1023 C HIS A 61 -1.817 -13.858 18.239 1.00 0.00 C ATOM 1024 O HIS A 61 -1.640 -13.910 19.456 1.00 0.00 O ATOM 1025 CB HIS A 61 0.441 -12.976 17.550 1.00 0.00 C ATOM 1026 CG HIS A 61 1.822 -13.146 16.967 1.00 0.00 C ATOM 1027 ND1 HIS A 61 2.796 -13.980 17.465 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.429 -12.286 16.086 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.960 -13.620 16.899 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.783 -12.599 16.050 1.00 0.00 N ATOM 0 H HIS A 61 -1.086 -13.019 15.493 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.202 -15.051 17.427 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.046 -12.024 17.195 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.546 -12.894 18.632 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.660 -14.733 18.140 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.941 -11.505 15.521 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.911 -14.091 17.101 1.00 0.00 H new ATOM 1038 N THR A 62 -3.012 -13.554 17.694 1.00 0.00 N ATOM 1039 CA THR A 62 -4.166 -13.120 18.536 1.00 0.00 C ATOM 1040 C THR A 62 -5.482 -13.832 18.143 1.00 0.00 C ATOM 1041 O THR A 62 -6.502 -13.659 18.808 1.00 0.00 O ATOM 1042 CB THR A 62 -4.385 -11.600 18.406 1.00 0.00 C ATOM 1043 OG1 THR A 62 -4.581 -11.233 17.065 1.00 0.00 O ATOM 1044 CG2 THR A 62 -3.192 -10.766 18.852 1.00 0.00 C ATOM 0 H THR A 62 -3.211 -13.597 16.694 1.00 0.00 H new ATOM 0 HA THR A 62 -3.916 -13.388 19.563 1.00 0.00 H new ATOM 0 HB THR A 62 -5.249 -11.405 19.041 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.807 -11.512 16.533 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.422 -9.708 18.731 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.975 -10.972 19.900 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.323 -11.020 18.245 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.452 -14.613 17.061 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.669 -15.233 16.528 1.00 0.00 C ATOM 1054 C GLY A 63 -7.672 -14.185 16.017 1.00 0.00 C ATOM 1055 O GLY A 63 -7.467 -13.579 14.963 1.00 0.00 O ATOM 0 H GLY A 63 -4.604 -14.831 16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.405 -15.909 15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.139 -15.836 17.305 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.753 -13.973 16.798 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.818 -12.973 16.478 1.00 0.00 C ATOM 1061 C VAL A 64 -10.631 -13.384 15.227 1.00 0.00 C ATOM 1062 O VAL A 64 -11.825 -13.645 15.326 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.206 -11.555 16.274 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -10.336 -10.515 16.202 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.281 -11.120 17.418 1.00 0.00 C ATOM 0 H VAL A 64 -8.920 -14.483 17.666 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.498 -12.945 17.329 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.624 -11.610 15.354 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.909 -9.523 16.059 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.994 -10.750 15.366 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.908 -10.534 17.130 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.890 -10.124 17.211 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.842 -11.103 18.353 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.453 -11.824 17.504 1.00 0.00 H new ATOM 1075 N LYS A 65 -9.975 -13.370 14.045 1.00 0.00 N ATOM 1076 CA LYS A 65 -10.668 -13.540 12.739 1.00 0.00 C ATOM 1077 C LYS A 65 -11.939 -12.642 12.668 1.00 0.00 C ATOM 1078 O LYS A 65 -13.063 -13.125 12.809 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.045 -15.021 12.520 1.00 0.00 C ATOM 1080 CG LYS A 65 -9.805 -15.931 12.457 1.00 0.00 C ATOM 1081 CD LYS A 65 -10.088 -17.272 11.763 1.00 0.00 C ATOM 1082 CE LYS A 65 -11.129 -18.115 12.504 1.00 0.00 C ATOM 1083 NZ LYS A 65 -11.522 -19.289 11.701 1.00 0.00 N ATOM 0 H LYS A 65 -8.966 -13.243 13.964 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.986 -13.232 11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.696 -15.352 13.329 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.612 -15.117 11.594 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.006 -15.413 11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.446 -16.119 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.436 -17.084 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.160 -17.837 11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.723 -18.443 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.007 -17.507 12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.150 -19.899 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.021 -18.973 10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.672 -19.824 11.429 1.00 0.00 H new ATOM 1097 N PRO A 66 -11.746 -11.312 12.502 1.00 0.00 N ATOM 1098 CA PRO A 66 -12.828 -10.330 12.634 1.00 0.00 C ATOM 1099 C PRO A 66 -13.848 -10.376 11.479 1.00 0.00 C ATOM 1100 O PRO A 66 -14.966 -9.887 11.625 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.096 -8.980 12.656 1.00 0.00 C ATOM 1102 CG PRO A 66 -10.777 -9.231 11.929 1.00 0.00 C ATOM 1103 CD PRO A 66 -10.452 -10.665 12.326 1.00 0.00 C ATOM 0 HA PRO A 66 -13.425 -10.524 13.525 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.680 -8.207 12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.925 -8.641 13.678 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.881 -9.122 10.849 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.000 -8.536 12.246 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.863 -11.164 11.556 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.867 -10.697 13.245 1.00 0.00 H new ATOM 1111 N PHE A 67 -13.474 -10.992 10.347 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.408 -11.151 9.219 1.00 0.00 C ATOM 1113 C PHE A 67 -15.291 -12.393 9.439 1.00 0.00 C ATOM 1114 O PHE A 67 -14.805 -13.423 9.852 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.619 -11.279 7.904 1.00 0.00 C ATOM 1116 CG PHE A 67 -12.750 -10.063 7.627 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.301 -8.926 7.004 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.410 -10.034 8.055 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.524 -7.767 6.833 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.624 -8.884 7.863 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.182 -7.749 7.252 1.00 0.00 C ATOM 0 H PHE A 67 -12.546 -11.383 10.188 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.051 -10.273 9.158 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -12.991 -12.169 7.946 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.316 -11.420 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.323 -8.945 6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.982 -10.902 8.535 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -12.959 -6.889 6.379 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.593 -8.873 8.185 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.581 -6.864 7.104 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.609 -12.249 9.245 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.545 -13.393 9.383 1.00 0.00 C ATOM 1133 C GLN A 68 -18.372 -13.580 8.106 1.00 0.00 C ATOM 1134 O GLN A 68 -18.900 -12.609 7.555 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.479 -13.162 10.584 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.282 -14.420 10.957 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.046 -14.249 12.267 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -19.467 -13.969 13.306 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -21.355 -14.422 12.291 1.00 0.00 N ATOM 0 H GLN A 68 -17.055 -11.367 8.995 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.960 -14.298 9.548 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.889 -12.844 11.443 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.169 -12.350 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.984 -14.651 10.156 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -18.604 -15.270 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.854 -14.656 11.433 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.867 -14.321 13.168 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.583 -14.847 7.712 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.464 -15.171 6.582 1.00 0.00 C ATOM 1150 C CYS A 69 -20.911 -14.768 6.902 1.00 0.00 C ATOM 1151 O CYS A 69 -21.342 -14.809 8.057 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.403 -16.675 6.267 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.528 -17.043 4.876 1.00 0.00 S ATOM 0 H CYS A 69 -18.157 -15.659 8.158 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.122 -14.613 5.710 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.383 -16.964 6.012 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.689 -17.255 7.145 1.00 0.00 H new ATOM 0 HG CYS A 69 -19.926 -17.820 4.025 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.656 -14.389 5.862 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.069 -14.013 6.026 1.00 0.00 C ATOM 1160 C LYS A 70 -23.981 -15.246 5.864 1.00 0.00 C ATOM 1161 O LYS A 70 -25.204 -15.132 5.918 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.452 -12.937 4.988 1.00 0.00 C ATOM 1163 CG LYS A 70 -22.419 -11.799 4.829 1.00 0.00 C ATOM 1164 CD LYS A 70 -21.967 -11.150 6.150 1.00 0.00 C ATOM 1165 CE LYS A 70 -20.792 -10.204 5.892 1.00 0.00 C ATOM 1166 NZ LYS A 70 -20.071 -9.905 7.145 1.00 0.00 N ATOM 0 H LYS A 70 -21.312 -14.333 4.903 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.205 -13.609 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -23.594 -13.419 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.411 -12.503 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.542 -12.192 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.845 -11.027 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.796 -10.601 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.674 -11.921 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.108 -10.655 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.156 -9.278 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.378 -9.148 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.749 -9.597 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.577 -10.759 7.474 1.00 0.00 H new ATOM 1180 N THR A 71 -23.361 -16.416 5.662 1.00 0.00 N ATOM 1181 CA THR A 71 -24.086 -17.655 5.362 1.00 0.00 C ATOM 1182 C THR A 71 -23.811 -18.715 6.445 1.00 0.00 C ATOM 1183 O THR A 71 -24.631 -18.916 7.342 1.00 0.00 O ATOM 1184 CB THR A 71 -23.664 -18.219 3.969 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.869 -17.300 3.245 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.857 -18.540 3.078 1.00 0.00 C ATOM 0 H THR A 71 -22.348 -16.529 5.702 1.00 0.00 H new ATOM 0 HA THR A 71 -25.151 -17.424 5.345 1.00 0.00 H new ATOM 0 HB THR A 71 -23.107 -19.127 4.201 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.933 -17.388 3.522 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.504 -18.928 2.123 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.484 -19.288 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.439 -17.634 2.908 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.623 -19.343 6.391 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.243 -20.395 7.343 1.00 0.00 C ATOM 1196 C CYS A 72 -21.592 -19.798 8.612 1.00 0.00 C ATOM 1197 O CYS A 72 -21.269 -20.525 9.553 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.266 -21.359 6.675 1.00 0.00 C ATOM 1199 SG CYS A 72 -19.821 -20.442 6.104 1.00 0.00 S ATOM 0 H CYS A 72 -21.908 -19.137 5.693 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.147 -20.926 7.642 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -20.964 -22.135 7.379 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -21.748 -21.860 5.836 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.182 -19.249 5.735 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.435 -18.461 8.632 1.00 0.00 N ATOM 1205 CA GLN A 73 -20.852 -17.742 9.781 1.00 0.00 C ATOM 1206 C GLN A 73 -19.384 -18.175 10.037 1.00 0.00 C ATOM 1207 O GLN A 73 -18.856 -17.981 11.134 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.705 -17.982 11.053 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.225 -17.838 10.846 1.00 0.00 C ATOM 1210 CD GLN A 73 -23.614 -16.545 10.135 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -23.296 -15.450 10.586 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.299 -16.627 9.008 1.00 0.00 N ATOM 0 H GLN A 73 -21.706 -17.853 7.859 1.00 0.00 H new ATOM 0 HA GLN A 73 -20.853 -16.678 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.497 -18.983 11.430 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.389 -17.279 11.824 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.589 -18.687 10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -23.723 -17.876 11.815 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.562 -17.540 8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.565 -15.778 8.510 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.710 -18.679 8.985 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.282 -18.996 9.063 1.00 0.00 C ATOM 1223 C ARG A 74 -16.469 -17.724 9.194 1.00 0.00 C ATOM 1224 O ARG A 74 -16.633 -16.789 8.407 1.00 0.00 O ATOM 1225 CB ARG A 74 -16.832 -19.758 7.805 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.915 -21.287 7.940 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.907 -21.984 7.010 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.674 -22.380 7.728 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.572 -21.672 7.964 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.365 -20.461 7.502 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.616 -22.197 8.696 1.00 0.00 N ATOM 0 H ARG A 74 -19.134 -18.872 8.078 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.119 -19.622 9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.447 -19.444 6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.805 -19.479 7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.719 -21.574 8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.925 -21.621 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.370 -22.867 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.650 -21.316 6.188 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.668 -23.332 8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.073 -20.008 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.496 -19.973 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.723 -23.137 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.767 -21.664 8.884 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.613 -17.673 10.213 1.00 0.00 N ATOM 1246 CA LYS A 75 -14.805 -16.496 10.466 1.00 0.00 C ATOM 1247 C LYS A 75 -13.465 -16.571 9.717 1.00 0.00 C ATOM 1248 O LYS A 75 -12.834 -17.628 9.646 1.00 0.00 O ATOM 1249 CB LYS A 75 -14.557 -16.342 11.972 1.00 0.00 C ATOM 1250 CG LYS A 75 -15.767 -15.652 12.622 1.00 0.00 C ATOM 1251 CD LYS A 75 -15.480 -15.220 14.069 1.00 0.00 C ATOM 1252 CE LYS A 75 -16.318 -14.001 14.475 1.00 0.00 C ATOM 1253 NZ LYS A 75 -15.894 -12.791 13.738 1.00 0.00 N ATOM 0 H LYS A 75 -15.466 -18.436 10.873 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.350 -15.626 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.394 -17.319 12.427 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.654 -15.756 12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.045 -14.779 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.620 -16.330 12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.692 -16.049 14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.421 -14.985 14.175 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.372 -14.199 14.279 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.220 -13.830 15.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.822 -11.990 14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.968 -12.960 13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.594 -12.571 13.001 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.028 -15.420 9.207 1.00 0.00 N ATOM 1268 CA PHE A 76 -11.757 -15.289 8.501 1.00 0.00 C ATOM 1269 C PHE A 76 -10.969 -14.076 9.036 1.00 0.00 C ATOM 1270 O PHE A 76 -11.533 -13.185 9.683 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.016 -15.110 6.989 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.772 -16.242 6.320 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.069 -17.347 5.799 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.178 -16.201 6.228 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.769 -18.412 5.207 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.879 -17.281 5.659 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.174 -18.389 5.159 1.00 0.00 C ATOM 0 H PHE A 76 -13.551 -14.547 9.273 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.170 -16.193 8.666 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.574 -14.185 6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.057 -14.988 6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.991 -17.375 5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.718 -15.340 6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.228 -19.248 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.957 -17.258 5.607 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.713 -19.225 4.737 1.00 0.00 H new ATOM 1287 N SER A 77 -9.662 -14.057 8.764 1.00 0.00 N ATOM 1288 CA SER A 77 -8.777 -13.001 9.272 1.00 0.00 C ATOM 1289 C SER A 77 -8.508 -11.928 8.204 1.00 0.00 C ATOM 1290 O SER A 77 -7.935 -10.881 8.508 1.00 0.00 O ATOM 1291 CB SER A 77 -7.446 -13.618 9.718 1.00 0.00 C ATOM 1292 OG SER A 77 -6.925 -14.377 8.640 1.00 0.00 O ATOM 0 H SER A 77 -9.191 -14.760 8.195 1.00 0.00 H new ATOM 0 HA SER A 77 -9.273 -12.524 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.743 -12.837 10.007 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.595 -14.252 10.592 1.00 0.00 H new ATOM 0 HG SER A 77 -6.160 -14.905 8.951 1.00 0.00 H new ATOM 1298 N ARG A 78 -8.953 -12.182 6.961 1.00 0.00 N ATOM 1299 CA ARG A 78 -8.778 -11.225 5.860 1.00 0.00 C ATOM 1300 C ARG A 78 -10.046 -11.137 5.005 1.00 0.00 C ATOM 1301 O ARG A 78 -10.705 -12.150 4.735 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.582 -11.646 4.981 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.247 -11.602 5.754 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.019 -11.430 4.851 1.00 0.00 C ATOM 1305 NE ARG A 78 -4.655 -12.652 4.111 1.00 0.00 N ATOM 1306 CZ ARG A 78 -3.948 -12.673 2.984 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -3.480 -11.586 2.410 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.747 -13.784 2.335 1.00 0.00 N ATOM 0 H ARG A 78 -9.435 -13.041 6.696 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.583 -10.242 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.748 -12.655 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.520 -10.987 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.279 -10.781 6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.139 -12.522 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.212 -10.628 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.171 -11.118 5.461 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.968 -13.546 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.654 -10.673 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.943 -11.656 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.134 -14.659 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.202 -13.780 1.473 1.00 0.00 H new ATOM 1322 N SER A 79 -10.353 -9.922 4.538 1.00 0.00 N ATOM 1323 CA SER A 79 -11.504 -9.689 3.657 1.00 0.00 C ATOM 1324 C SER A 79 -11.327 -10.425 2.325 1.00 0.00 C ATOM 1325 O SER A 79 -12.292 -10.909 1.749 1.00 0.00 O ATOM 1326 CB SER A 79 -11.667 -8.187 3.398 1.00 0.00 C ATOM 1327 OG SER A 79 -10.443 -7.617 2.966 1.00 0.00 O ATOM 0 H SER A 79 -9.818 -9.081 4.756 1.00 0.00 H new ATOM 0 HA SER A 79 -12.397 -10.073 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.436 -8.025 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.004 -7.691 4.308 1.00 0.00 H new ATOM 0 HG SER A 79 -10.568 -6.659 2.804 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.082 -10.490 1.838 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.776 -11.178 0.580 1.00 0.00 C ATOM 1335 C ASP A 80 -10.144 -12.700 0.670 1.00 0.00 C ATOM 1336 O ASP A 80 -10.767 -13.246 -0.251 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.287 -10.994 0.226 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.253 -11.232 1.330 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.214 -12.353 1.876 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.507 -10.264 1.604 1.00 0.00 O ATOM 0 H ASP A 80 -9.271 -10.074 2.296 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.380 -10.737 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.054 -11.666 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.154 -9.977 -0.143 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.847 -13.338 1.825 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.288 -14.725 2.089 1.00 0.00 C ATOM 1347 C HIS A 81 -11.805 -14.803 2.176 1.00 0.00 C ATOM 1348 O HIS A 81 -12.408 -15.713 1.629 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.696 -15.234 3.413 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.239 -15.524 3.474 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.383 -15.678 2.423 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.537 -15.729 4.626 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.184 -15.946 2.950 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.215 -15.916 4.290 1.00 0.00 N ATOM 0 H HIS A 81 -9.308 -12.918 2.583 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.938 -15.344 1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.919 -14.494 4.182 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.227 -16.146 3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.946 -15.742 5.625 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.300 -16.160 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.424 -16.012 4.927 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.418 -13.873 2.921 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.871 -13.885 3.123 1.00 0.00 C ATOM 1364 C LEU A 82 -14.612 -13.727 1.782 1.00 0.00 C ATOM 1365 O LEU A 82 -15.552 -14.465 1.498 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.278 -12.759 4.086 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.799 -12.775 4.346 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.122 -12.438 5.794 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.576 -11.775 3.478 1.00 0.00 C ATOM 0 H LEU A 82 -11.933 -13.108 3.390 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.149 -14.845 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.743 -12.872 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.987 -11.795 3.668 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.106 -13.790 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.202 -12.459 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.653 -13.170 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.743 -11.443 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.639 -11.839 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.220 -10.765 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.422 -12.010 2.425 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.163 -12.774 0.957 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.737 -12.560 -0.383 1.00 0.00 C ATOM 1383 C LYS A 83 -14.465 -13.770 -1.289 1.00 0.00 C ATOM 1384 O LYS A 83 -15.304 -14.149 -2.096 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.131 -11.294 -1.008 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.758 -10.914 -2.361 1.00 0.00 C ATOM 1387 CD LYS A 83 -14.372 -9.509 -2.856 1.00 0.00 C ATOM 1388 CE LYS A 83 -12.881 -9.331 -3.180 1.00 0.00 C ATOM 1389 NZ LYS A 83 -12.068 -9.083 -1.971 1.00 0.00 N ATOM 0 H LYS A 83 -13.403 -12.136 1.192 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.816 -12.438 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.253 -10.462 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.060 -11.442 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.456 -11.647 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.843 -10.973 -2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.954 -9.280 -3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.654 -8.780 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.513 -10.224 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.759 -8.499 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.567 -8.177 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.688 -9.046 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.376 -9.851 -1.854 1.00 0.00 H new ATOM 1403 N THR A 84 -13.302 -14.402 -1.107 1.00 0.00 N ATOM 1404 CA THR A 84 -12.962 -15.625 -1.841 1.00 0.00 C ATOM 1405 C THR A 84 -13.901 -16.773 -1.444 1.00 0.00 C ATOM 1406 O THR A 84 -14.587 -17.342 -2.292 1.00 0.00 O ATOM 1407 CB THR A 84 -11.510 -16.037 -1.546 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.681 -15.044 -2.110 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.030 -17.402 -2.016 1.00 0.00 C ATOM 0 H THR A 84 -12.580 -14.088 -0.458 1.00 0.00 H new ATOM 0 HA THR A 84 -13.075 -15.422 -2.906 1.00 0.00 H new ATOM 0 HB THR A 84 -11.460 -16.127 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.311 -14.483 -1.397 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.987 -17.539 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.638 -18.180 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.121 -17.466 -3.100 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.058 -16.975 -0.136 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.992 -17.958 0.393 1.00 0.00 C ATOM 1419 C HIS A 85 -16.434 -17.629 -0.036 1.00 0.00 C ATOM 1420 O HIS A 85 -17.196 -18.519 -0.407 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.897 -17.983 1.921 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.073 -18.663 2.545 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.436 -19.979 2.364 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.071 -18.029 3.225 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.657 -20.131 2.895 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.056 -18.979 3.446 1.00 0.00 N ATOM 0 H HIS A 85 -13.543 -16.463 0.580 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.731 -18.938 -0.007 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.982 -18.495 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.827 -16.962 2.297 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -15.879 -20.703 1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.090 -16.993 3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.232 -21.045 2.880 1.00 0.00 H new ATOM 1434 N THR A 86 -16.764 -16.339 -0.058 1.00 0.00 N ATOM 1435 CA THR A 86 -18.079 -15.871 -0.506 1.00 0.00 C ATOM 1436 C THR A 86 -18.400 -16.407 -1.912 1.00 0.00 C ATOM 1437 O THR A 86 -19.532 -16.829 -2.181 1.00 0.00 O ATOM 1438 CB THR A 86 -18.138 -14.332 -0.526 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.932 -13.832 0.777 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.452 -13.716 -0.985 1.00 0.00 C ATOM 0 H THR A 86 -16.134 -15.591 0.232 1.00 0.00 H new ATOM 0 HA THR A 86 -18.818 -16.248 0.201 1.00 0.00 H new ATOM 0 HB THR A 86 -17.367 -14.059 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.970 -13.756 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.374 -12.629 -0.957 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.669 -14.038 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.256 -14.039 -0.323 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.392 -16.408 -2.811 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.596 -16.865 -4.197 1.00 0.00 C ATOM 1450 C ARG A 87 -18.008 -18.355 -4.239 1.00 0.00 C ATOM 1451 O ARG A 87 -18.680 -18.779 -5.173 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.316 -16.651 -5.030 1.00 0.00 C ATOM 1453 CG ARG A 87 -16.114 -15.154 -5.340 1.00 0.00 C ATOM 1454 CD ARG A 87 -15.129 -14.870 -6.484 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.760 -15.321 -6.199 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.866 -14.779 -5.384 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -13.094 -13.690 -4.681 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.703 -15.370 -5.250 1.00 0.00 N ATOM 0 H ARG A 87 -16.442 -16.101 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.404 -16.273 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.453 -17.035 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.383 -17.215 -5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -17.079 -14.714 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.759 -14.653 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.484 -15.361 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.116 -13.799 -6.686 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.458 -16.161 -6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.996 -13.219 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.368 -13.317 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.504 -16.227 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.998 -14.973 -4.629 1.00 0.00 H new ATOM 1472 N THR A 88 -17.671 -19.121 -3.178 1.00 0.00 N ATOM 1473 CA THR A 88 -18.115 -20.533 -3.059 1.00 0.00 C ATOM 1474 C THR A 88 -19.641 -20.615 -2.853 1.00 0.00 C ATOM 1475 O THR A 88 -20.301 -21.473 -3.433 1.00 0.00 O ATOM 1476 CB THR A 88 -17.419 -21.255 -1.873 1.00 0.00 C ATOM 1477 OG1 THR A 88 -17.909 -20.882 -0.612 1.00 0.00 O ATOM 1478 CG2 THR A 88 -15.897 -21.118 -1.814 1.00 0.00 C ATOM 0 H THR A 88 -17.100 -18.793 -2.399 1.00 0.00 H new ATOM 0 HA THR A 88 -17.838 -21.027 -3.991 1.00 0.00 H new ATOM 0 HB THR A 88 -17.669 -22.293 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 88 -17.392 -20.122 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.516 -21.660 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.459 -21.532 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.630 -20.065 -1.729 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.202 -19.664 -2.079 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.660 -19.586 -1.880 1.00 0.00 C ATOM 1488 C HIS A 89 -22.330 -18.899 -3.079 1.00 0.00 C ATOM 1489 O HIS A 89 -23.518 -19.088 -3.330 1.00 0.00 O ATOM 1490 CB HIS A 89 -21.976 -18.800 -0.593 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.719 -19.548 0.695 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.240 -20.777 1.041 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.016 -19.084 1.775 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.840 -21.049 2.297 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.095 -20.048 2.782 1.00 0.00 N ATOM 0 H HIS A 89 -19.671 -18.946 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.050 -20.600 -1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.382 -17.886 -0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.023 -18.499 -0.617 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.494 -18.141 1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.086 -21.950 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.668 -19.999 3.707 1.00 0.00 H new ATOM 1503 N THR A 90 -21.547 -18.096 -3.810 1.00 0.00 N ATOM 1504 CA THR A 90 -22.064 -17.310 -4.939 1.00 0.00 C ATOM 1505 C THR A 90 -21.930 -18.093 -6.269 1.00 0.00 C ATOM 1506 O THR A 90 -22.411 -17.648 -7.307 1.00 0.00 O ATOM 1507 CB THR A 90 -21.281 -15.984 -5.068 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.114 -15.379 -3.798 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.926 -14.912 -5.941 1.00 0.00 C ATOM 0 H THR A 90 -20.549 -17.973 -3.639 1.00 0.00 H new ATOM 0 HA THR A 90 -23.117 -17.107 -4.745 1.00 0.00 H new ATOM 0 HB THR A 90 -20.348 -16.296 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.425 -15.860 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.290 -14.027 -5.959 1.00 0.00 H new ATOM 0 HG22 THR A 90 -22.047 -15.293 -6.955 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.902 -14.649 -5.533 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.274 -19.267 -6.214 1.00 0.00 N ATOM 1518 CA GLY A 91 -21.019 -20.067 -7.425 1.00 0.00 C ATOM 1519 C GLY A 91 -20.204 -19.289 -8.482 1.00 0.00 C ATOM 1520 O GLY A 91 -20.266 -19.594 -9.672 1.00 0.00 O ATOM 0 H GLY A 91 -20.914 -19.679 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.481 -20.975 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.969 -20.378 -7.859 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.471 -18.261 -8.032 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.770 -17.353 -8.937 1.00 0.00 C ATOM 1526 C GLU A 92 -17.402 -17.931 -9.338 1.00 0.00 C ATOM 1527 O GLU A 92 -16.418 -17.791 -8.609 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.588 -15.982 -8.260 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.096 -14.902 -9.234 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.961 -13.541 -8.542 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -19.008 -13.009 -8.112 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.811 -13.060 -8.440 1.00 0.00 O ATOM 0 H GLU A 92 -19.351 -18.041 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.367 -17.232 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.536 -15.668 -7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.876 -16.078 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.133 -15.197 -9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.792 -14.819 -10.069 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.352 -18.566 -10.520 1.00 0.00 N ATOM 1540 CA LYS A 93 -16.108 -19.153 -11.048 1.00 0.00 C ATOM 1541 C LYS A 93 -15.772 -18.555 -12.432 1.00 0.00 C ATOM 1542 O LYS A 93 -16.145 -19.114 -13.462 1.00 0.00 O ATOM 1543 CB LYS A 93 -16.255 -20.687 -11.158 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.345 -21.358 -9.779 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.572 -22.872 -9.872 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.723 -23.507 -8.482 1.00 0.00 C ATOM 1547 NZ LYS A 93 -15.476 -23.426 -7.689 1.00 0.00 N ATOM 0 H LYS A 93 -18.160 -18.687 -11.130 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.294 -18.919 -10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -17.148 -20.925 -11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.404 -21.094 -11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.426 -21.166 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.159 -20.907 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.466 -23.071 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.735 -23.335 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.527 -23.007 -7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.014 -24.552 -8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.594 -23.955 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.691 -23.835 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.266 -22.431 -7.473 1.00 0.00 H new ATOM 1561 N PRO A 94 -15.111 -17.374 -12.460 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.811 -16.669 -13.699 1.00 0.00 C ATOM 1563 C PRO A 94 -13.499 -17.143 -14.362 1.00 0.00 C ATOM 1564 O PRO A 94 -13.333 -17.011 -15.578 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.693 -15.206 -13.257 1.00 0.00 C ATOM 1566 CG PRO A 94 -14.116 -15.299 -11.841 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.714 -16.597 -11.292 1.00 0.00 C ATOM 0 HA PRO A 94 -15.578 -16.843 -14.454 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -14.039 -14.639 -13.919 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.662 -14.707 -13.262 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.027 -15.334 -11.854 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.401 -14.439 -11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.985 -17.140 -10.690 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.570 -16.392 -10.649 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.562 -17.684 -13.554 1.00 0.00 N ATOM 1576 CA PHE A 95 -11.229 -18.071 -14.060 1.00 0.00 C ATOM 1577 C PHE A 95 -11.319 -19.348 -14.915 1.00 0.00 C ATOM 1578 O PHE A 95 -11.082 -20.449 -14.429 1.00 0.00 O ATOM 1579 CB PHE A 95 -10.259 -18.293 -12.890 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.963 -17.068 -12.062 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -9.027 -16.113 -12.505 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.623 -16.890 -10.840 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.759 -14.974 -11.724 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.377 -15.737 -10.071 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.443 -14.781 -10.511 1.00 0.00 C ATOM 0 H PHE A 95 -12.702 -17.861 -12.559 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.854 -17.260 -14.685 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.672 -19.062 -12.237 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.320 -18.681 -13.285 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.515 -16.255 -13.445 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.320 -17.636 -10.488 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.030 -14.250 -12.055 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.906 -15.586 -9.142 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.252 -13.899 -9.917 1.00 0.00 H new ATOM 1595 N SER A 96 -11.687 -19.181 -16.184 1.00 0.00 N ATOM 1596 CA SER A 96 -11.882 -20.312 -17.100 1.00 0.00 C ATOM 1597 C SER A 96 -10.566 -20.694 -17.781 1.00 0.00 C ATOM 1598 O SER A 96 -9.811 -19.827 -18.226 1.00 0.00 O ATOM 1599 CB SER A 96 -12.915 -19.938 -18.167 1.00 0.00 C ATOM 1600 OG SER A 96 -14.086 -19.385 -17.586 1.00 0.00 O ATOM 0 H SER A 96 -11.858 -18.269 -16.607 1.00 0.00 H new ATOM 0 HA SER A 96 -12.237 -21.165 -16.522 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.479 -19.220 -18.862 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.178 -20.823 -18.746 1.00 0.00 H new ATOM 0 HG SER A 96 -14.491 -18.747 -18.210 1.00 0.00 H new ATOM 1606 N CYS A 97 -10.333 -22.002 -17.923 1.00 0.00 N ATOM 1607 CA CYS A 97 -9.132 -22.508 -18.577 1.00 0.00 C ATOM 1608 C CYS A 97 -9.179 -22.225 -20.074 1.00 0.00 C ATOM 1609 O CYS A 97 -10.227 -22.356 -20.710 1.00 0.00 O ATOM 1610 CB CYS A 97 -9.002 -24.012 -18.336 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.386 -24.619 -18.850 1.00 0.00 S ATOM 0 H CYS A 97 -10.966 -22.729 -17.591 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.266 -22.000 -18.154 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -9.154 -24.228 -17.278 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.782 -24.539 -18.885 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.500 -25.836 -19.292 1.00 0.00 H new ATOM 1616 N ARG A 98 -8.054 -21.737 -20.609 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.974 -21.293 -22.006 1.00 0.00 C ATOM 1618 C ARG A 98 -7.253 -22.337 -22.880 1.00 0.00 C ATOM 1619 O ARG A 98 -6.915 -22.061 -24.029 1.00 0.00 O ATOM 1620 CB ARG A 98 -7.226 -19.945 -22.077 1.00 0.00 C ATOM 1621 CG ARG A 98 -7.807 -18.796 -21.224 1.00 0.00 C ATOM 1622 CD ARG A 98 -9.211 -18.317 -21.636 1.00 0.00 C ATOM 1623 NE ARG A 98 -10.260 -19.245 -21.190 1.00 0.00 N ATOM 1624 CZ ARG A 98 -11.445 -19.467 -21.746 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -11.931 -18.727 -22.717 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -12.161 -20.488 -21.352 1.00 0.00 N ATOM 0 H ARG A 98 -7.180 -21.639 -20.092 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.988 -21.173 -22.388 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.193 -20.110 -21.771 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.202 -19.621 -23.117 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.842 -19.119 -20.184 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.123 -17.948 -21.271 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.396 -17.330 -21.213 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.255 -18.213 -22.720 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.052 -19.785 -20.350 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.392 -17.940 -23.077 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.848 -18.940 -23.110 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.808 -21.107 -20.622 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.072 -20.665 -21.774 1.00 0.00 H new ATOM 1640 N TRP A 99 -7.015 -23.531 -22.319 1.00 0.00 N ATOM 1641 CA TRP A 99 -6.347 -24.609 -23.051 1.00 0.00 C ATOM 1642 C TRP A 99 -7.214 -25.079 -24.244 1.00 0.00 C ATOM 1643 O TRP A 99 -8.442 -25.003 -24.199 1.00 0.00 O ATOM 1644 CB TRP A 99 -6.069 -25.788 -22.105 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.776 -25.636 -21.359 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.509 -24.647 -20.480 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.553 -26.431 -21.438 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -3.225 -24.771 -20.001 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.581 -25.847 -20.570 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -3.158 -27.582 -22.158 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.280 -26.359 -20.439 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.861 -28.114 -22.022 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.921 -27.502 -21.172 1.00 0.00 C ATOM 0 H TRP A 99 -7.276 -23.771 -21.363 1.00 0.00 H new ATOM 0 HA TRP A 99 -5.402 -24.231 -23.441 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.888 -25.877 -21.391 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -6.046 -26.713 -22.681 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -5.203 -23.870 -20.194 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.804 -24.146 -19.313 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.862 -28.061 -22.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.566 -25.881 -19.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.585 -29.000 -22.575 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.075 -27.911 -21.084 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.570 -25.582 -25.323 1.00 0.00 N ATOM 1665 CA PRO A 100 -7.266 -25.959 -26.565 1.00 0.00 C ATOM 1666 C PRO A 100 -8.108 -27.251 -26.423 1.00 0.00 C ATOM 1667 O PRO A 100 -8.609 -27.780 -27.412 1.00 0.00 O ATOM 1668 CB PRO A 100 -6.122 -26.164 -27.571 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.926 -26.569 -26.708 1.00 0.00 C ATOM 1670 CD PRO A 100 -5.125 -25.734 -25.446 1.00 0.00 C ATOM 0 HA PRO A 100 -7.986 -25.198 -26.865 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.367 -26.937 -28.299 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.917 -25.252 -28.131 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.926 -27.637 -26.491 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.979 -26.344 -27.198 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.704 -26.231 -24.572 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.631 -24.766 -25.530 1.00 0.00 H new ATOM 1678 N SER A 101 -8.259 -27.740 -25.184 1.00 0.00 N ATOM 1679 CA SER A 101 -9.041 -28.952 -24.911 1.00 0.00 C ATOM 1680 C SER A 101 -9.775 -28.850 -23.552 1.00 0.00 C ATOM 1681 O SER A 101 -10.180 -29.871 -22.986 1.00 0.00 O ATOM 1682 CB SER A 101 -8.111 -30.175 -24.908 1.00 0.00 C ATOM 1683 OG SER A 101 -8.856 -31.345 -24.647 1.00 0.00 O ATOM 0 H SER A 101 -7.848 -27.313 -24.354 1.00 0.00 H new ATOM 0 HA SER A 101 -9.791 -29.060 -25.695 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.607 -30.262 -25.871 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.336 -30.051 -24.152 1.00 0.00 H new ATOM 0 HG SER A 101 -9.467 -31.183 -23.898 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.930 -27.617 -23.035 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.571 -27.397 -21.738 1.00 0.00 C ATOM 1691 C CYS A 102 -11.340 -26.069 -21.717 1.00 0.00 C ATOM 1692 O CYS A 102 -11.018 -25.142 -22.459 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.509 -27.388 -20.637 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.259 -27.204 -19.000 1.00 0.00 S ATOM 0 H CYS A 102 -9.619 -26.764 -23.499 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.280 -28.207 -21.566 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.936 -28.314 -20.674 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.808 -26.572 -20.812 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.333 -27.262 -18.089 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.321 -25.981 -20.811 1.00 0.00 N ATOM 1700 CA GLN A 103 -13.031 -24.725 -20.518 1.00 0.00 C ATOM 1701 C GLN A 103 -13.473 -24.697 -19.028 1.00 0.00 C ATOM 1702 O GLN A 103 -14.431 -24.005 -18.665 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.275 -24.587 -21.437 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.017 -24.252 -22.914 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.372 -22.879 -23.112 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.016 -21.838 -23.056 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.070 -22.818 -23.290 1.00 0.00 N ATOM 0 H GLN A 103 -12.646 -26.775 -20.260 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.356 -23.890 -20.706 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.833 -25.522 -21.394 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.919 -23.812 -21.021 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.371 -25.016 -23.347 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.961 -24.286 -23.459 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.521 -23.676 -23.339 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.609 -21.912 -23.379 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.775 -25.483 -18.180 1.00 0.00 N ATOM 1717 CA LYS A 104 -13.129 -25.613 -16.757 1.00 0.00 C ATOM 1718 C LYS A 104 -12.883 -24.304 -16.033 1.00 0.00 C ATOM 1719 O LYS A 104 -11.961 -23.568 -16.368 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.300 -26.733 -16.107 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.791 -28.114 -16.585 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.091 -29.280 -15.871 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.606 -29.412 -16.223 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.388 -29.917 -17.592 1.00 0.00 N ATOM 0 H LYS A 104 -11.964 -26.035 -18.460 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.187 -25.864 -16.683 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.247 -26.607 -16.359 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.378 -26.668 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.866 -28.188 -16.421 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.625 -28.201 -17.659 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.190 -29.147 -14.794 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.600 -30.209 -16.126 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.124 -28.440 -16.118 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.127 -30.084 -15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.640 -30.640 -17.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.269 -30.336 -17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.101 -29.132 -18.210 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.751 -23.987 -15.070 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.757 -22.663 -14.451 1.00 0.00 C ATOM 1740 C LYS A 105 -13.482 -22.746 -12.957 1.00 0.00 C ATOM 1741 O LYS A 105 -13.997 -23.623 -12.266 1.00 0.00 O ATOM 1742 CB LYS A 105 -15.111 -21.981 -14.693 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.569 -22.121 -16.153 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.697 -21.151 -16.526 1.00 0.00 C ATOM 1745 CE LYS A 105 -17.165 -21.367 -17.974 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.050 -21.305 -18.944 1.00 0.00 N ATOM 0 H LYS A 105 -14.456 -24.627 -14.704 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.962 -22.074 -14.908 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.861 -22.418 -14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -15.037 -20.925 -14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.718 -21.950 -16.812 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.905 -23.143 -16.325 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.537 -21.289 -15.846 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.352 -20.124 -16.403 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.657 -22.336 -18.053 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.907 -20.611 -18.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.422 -21.066 -19.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.370 -20.577 -18.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.573 -22.228 -18.984 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.693 -21.792 -12.466 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.335 -21.714 -11.045 1.00 0.00 C ATOM 1762 C PHE A 106 -12.704 -20.350 -10.475 1.00 0.00 C ATOM 1763 O PHE A 106 -12.934 -19.397 -11.222 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.826 -21.957 -10.878 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.379 -23.261 -11.518 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.483 -24.471 -10.807 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.974 -23.282 -12.866 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.205 -25.690 -11.450 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.718 -24.500 -13.518 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.841 -25.706 -12.807 1.00 0.00 C ATOM 0 H PHE A 106 -12.284 -21.052 -13.037 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.889 -22.479 -10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.275 -21.128 -11.323 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.578 -21.971 -9.817 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.776 -24.463 -9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.859 -22.353 -13.404 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.271 -26.617 -10.899 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.429 -24.509 -14.558 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.655 -26.647 -13.304 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.770 -20.257 -9.143 1.00 0.00 N ATOM 1781 CA ALA A 107 -13.133 -19.011 -8.476 1.00 0.00 C ATOM 1782 C ALA A 107 -11.888 -18.260 -7.985 1.00 0.00 C ATOM 1783 O ALA A 107 -12.000 -17.184 -7.400 1.00 0.00 O ATOM 1784 CB ALA A 107 -14.059 -19.314 -7.289 1.00 0.00 C ATOM 0 H ALA A 107 -12.576 -21.032 -8.509 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.650 -18.376 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.329 -18.383 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.961 -19.809 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.544 -19.966 -6.583 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.698 -18.829 -8.234 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.443 -18.200 -7.836 1.00 0.00 C ATOM 1792 C ARG A 108 -8.408 -18.283 -8.959 1.00 0.00 C ATOM 1793 O ARG A 108 -8.303 -19.298 -9.663 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.896 -18.872 -6.583 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.775 -18.715 -5.335 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.489 -19.809 -4.307 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.051 -19.970 -4.030 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.524 -20.384 -2.888 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.256 -20.475 -1.806 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.258 -20.706 -2.839 1.00 0.00 N ATOM 0 H ARG A 108 -10.586 -19.724 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.642 -17.149 -7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.763 -19.935 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.909 -18.462 -6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.600 -17.737 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.826 -18.750 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.009 -19.574 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.893 -20.755 -4.668 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.404 -19.742 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.245 -20.226 -1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.838 -20.795 -0.933 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.682 -20.638 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.847 -21.026 -1.962 1.00 0.00 H new ATOM 1814 N SER A 109 -7.622 -17.221 -9.095 1.00 0.00 N ATOM 1815 CA SER A 109 -6.599 -17.139 -10.123 1.00 0.00 C ATOM 1816 C SER A 109 -5.555 -18.252 -9.949 1.00 0.00 C ATOM 1817 O SER A 109 -5.195 -18.917 -10.908 1.00 0.00 O ATOM 1818 CB SER A 109 -5.907 -15.768 -10.060 1.00 0.00 C ATOM 1819 OG SER A 109 -5.458 -15.491 -8.746 1.00 0.00 O ATOM 0 H SER A 109 -7.678 -16.397 -8.497 1.00 0.00 H new ATOM 0 HA SER A 109 -7.078 -17.264 -11.094 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.063 -15.750 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.599 -14.991 -10.384 1.00 0.00 H new ATOM 0 HG SER A 109 -5.019 -14.615 -8.728 1.00 0.00 H new ATOM 1825 N ASP A 110 -5.123 -18.486 -8.701 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.151 -19.553 -8.393 1.00 0.00 C ATOM 1827 C ASP A 110 -4.761 -20.959 -8.625 1.00 0.00 C ATOM 1828 O ASP A 110 -4.055 -21.878 -8.995 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.662 -19.422 -6.939 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.667 -19.784 -5.846 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.858 -19.437 -5.984 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.225 -20.369 -4.834 1.00 0.00 O ATOM 0 H ASP A 110 -5.429 -17.953 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.304 -19.439 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.783 -20.054 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.340 -18.393 -6.779 1.00 0.00 H new ATOM 1837 N GLU A 111 -6.069 -21.122 -8.378 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.747 -22.394 -8.693 1.00 0.00 C ATOM 1839 C GLU A 111 -6.648 -22.681 -10.196 1.00 0.00 C ATOM 1840 O GLU A 111 -6.331 -23.801 -10.601 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.226 -22.348 -8.275 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.480 -22.727 -6.811 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.981 -22.787 -6.473 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.766 -22.039 -7.108 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.329 -23.553 -5.548 1.00 0.00 O ATOM 0 H GLU A 111 -6.671 -20.407 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.253 -23.189 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.610 -21.343 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.794 -23.022 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.025 -23.696 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.992 -22.001 -6.161 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.825 -21.631 -11.017 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.622 -21.742 -12.464 1.00 0.00 C ATOM 1854 C LEU A 112 -5.120 -21.960 -12.803 1.00 0.00 C ATOM 1855 O LEU A 112 -4.788 -22.808 -13.631 1.00 0.00 O ATOM 1856 CB LEU A 112 -7.144 -20.481 -13.169 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.896 -20.485 -14.691 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.607 -21.648 -15.384 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.369 -19.183 -15.340 1.00 0.00 C ATOM 0 H LEU A 112 -7.107 -20.703 -10.701 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.180 -22.608 -12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.214 -20.386 -12.983 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.665 -19.605 -12.732 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.819 -20.592 -14.817 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.405 -21.612 -16.455 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.243 -22.591 -14.978 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.681 -21.571 -15.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.179 -19.221 -16.413 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.437 -19.057 -15.165 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.828 -18.342 -14.905 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.221 -21.195 -12.146 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.764 -21.347 -12.370 1.00 0.00 C ATOM 1873 C VAL A 113 -2.325 -22.788 -12.054 1.00 0.00 C ATOM 1874 O VAL A 113 -1.595 -23.410 -12.827 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.950 -20.327 -11.497 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -2.338 -18.846 -11.649 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.283 -20.702 -10.160 1.00 0.00 C ATOM 0 H VAL A 113 -4.471 -20.477 -11.467 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.558 -21.135 -13.419 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.042 -20.514 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.710 -18.237 -10.999 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.196 -18.537 -12.685 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.384 -18.713 -11.371 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.780 -19.828 -9.746 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.042 -21.049 -9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.554 -21.495 -10.327 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.841 -23.330 -10.944 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.581 -24.715 -10.562 1.00 0.00 C ATOM 1889 C ARG A 114 -3.136 -25.673 -11.614 1.00 0.00 C ATOM 1890 O ARG A 114 -2.423 -26.549 -12.089 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.224 -25.016 -9.194 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.133 -26.511 -8.833 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.734 -26.825 -7.464 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.887 -26.322 -6.376 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.085 -26.535 -5.082 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.107 -27.233 -4.641 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.248 -26.026 -4.212 1.00 0.00 N ATOM 0 H ARG A 114 -3.443 -22.824 -10.295 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.503 -24.857 -10.491 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.730 -24.426 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.270 -24.709 -9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.649 -27.096 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.088 -26.821 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.726 -26.379 -7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.860 -27.903 -7.360 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.077 -25.760 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.777 -27.629 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.231 -27.379 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.454 -25.472 -4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.391 -26.184 -3.214 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.391 -25.443 -12.043 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.025 -26.300 -13.050 1.00 0.00 C ATOM 1913 C HIS A 115 -4.165 -26.383 -14.309 1.00 0.00 C ATOM 1914 O HIS A 115 -3.844 -27.471 -14.775 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.417 -25.764 -13.409 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.048 -26.610 -14.490 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.278 -27.965 -14.400 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.331 -26.222 -15.776 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.675 -28.381 -15.612 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.762 -27.349 -16.458 1.00 0.00 N ATOM 0 H HIS A 115 -4.977 -24.678 -11.709 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.125 -27.300 -12.627 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.052 -25.763 -12.523 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.339 -24.731 -13.747 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.167 -28.544 -13.568 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.236 -25.225 -16.181 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.894 -29.407 -15.869 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.724 -25.221 -14.806 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.821 -25.165 -15.953 1.00 0.00 C ATOM 1930 C HIS A 116 -1.526 -25.968 -15.675 1.00 0.00 C ATOM 1931 O HIS A 116 -1.054 -26.713 -16.537 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.468 -23.706 -16.271 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.578 -22.866 -16.869 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.737 -23.296 -17.487 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.540 -21.501 -16.988 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -5.357 -22.212 -17.979 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.672 -21.094 -17.699 1.00 0.00 N ATOM 0 H HIS A 116 -3.980 -24.309 -14.429 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.327 -25.611 -16.809 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.132 -23.226 -15.352 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.624 -23.700 -16.961 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -5.062 -24.260 -17.556 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.769 -20.852 -16.600 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.286 -22.237 -18.529 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.007 -25.871 -14.436 1.00 0.00 N ATOM 1946 CA ASN A 117 0.230 -26.570 -14.049 1.00 0.00 C ATOM 1947 C ASN A 117 0.011 -28.103 -13.991 1.00 0.00 C ATOM 1948 O ASN A 117 0.973 -28.871 -13.983 1.00 0.00 O ATOM 1949 CB ASN A 117 0.709 -26.055 -12.673 1.00 0.00 C ATOM 1950 CG ASN A 117 2.209 -26.182 -12.422 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.845 -25.267 -11.928 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.825 -27.302 -12.740 1.00 0.00 N ATOM 0 H ASN A 117 -1.425 -25.317 -13.689 1.00 0.00 H new ATOM 0 HA ASN A 117 0.991 -26.365 -14.802 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.427 -25.006 -12.577 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.178 -26.601 -11.893 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.826 -27.399 -12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.301 -28.073 -13.154 1.00 0.00 H new ATOM 1959 N MET A 118 -1.260 -28.527 -13.964 1.00 0.00 N ATOM 1960 CA MET A 118 -1.614 -29.949 -13.929 1.00 0.00 C ATOM 1961 C MET A 118 -2.276 -30.388 -15.256 1.00 0.00 C ATOM 1962 O MET A 118 -2.760 -31.513 -15.370 1.00 0.00 O ATOM 1963 CB MET A 118 -2.581 -30.212 -12.758 1.00 0.00 C ATOM 1964 CG MET A 118 -1.939 -29.953 -11.389 1.00 0.00 C ATOM 1965 SD MET A 118 -3.080 -30.167 -9.996 1.00 0.00 S ATOM 1966 CE MET A 118 -1.901 -30.059 -8.625 1.00 0.00 C ATOM 0 H MET A 118 -2.064 -27.899 -13.966 1.00 0.00 H new ATOM 0 HA MET A 118 -0.701 -30.528 -13.792 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.460 -29.577 -12.868 1.00 0.00 H new ATOM 0 HB3 MET A 118 -2.927 -31.245 -12.803 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.093 -30.628 -11.261 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.543 -28.938 -11.370 1.00 0.00 H new ATOM 0 HE1 MET A 118 -2.431 -30.170 -7.679 1.00 0.00 H new ATOM 0 HE2 MET A 118 -1.159 -30.851 -8.720 1.00 0.00 H new ATOM 0 HE3 MET A 118 -1.402 -29.090 -8.649 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.323 -29.476 -16.242 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.048 -29.724 -17.486 1.00 0.00 C ATOM 1978 C HIS A 119 -2.284 -30.709 -18.377 1.00 0.00 C ATOM 1979 O HIS A 119 -2.778 -31.118 -19.433 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.264 -28.408 -18.236 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.590 -28.399 -18.935 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.039 -29.360 -19.808 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.645 -27.593 -18.616 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.354 -29.143 -19.987 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.768 -28.102 -19.270 1.00 0.00 N ATOM 0 H HIS A 119 -1.867 -28.565 -16.196 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.014 -30.162 -17.237 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.212 -27.574 -17.536 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.465 -28.264 -18.963 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.481 -30.098 -20.238 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.616 -26.723 -17.976 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.990 -29.736 -20.628 1.00 0.00 H new